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Chemical ID: 7118088

Chemical ID:

7118088

Name [?]:

bis[(4-methoxyphenyl)methyl]ammonium

SMILES [?]:

COc1ccc(cc1)C[NH2+]Cc2ccc(cc2)OC

InChi [?]:

InChI=1/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,19,5,7,13,17,4,8,14,16,9,11,6,12,3,15,10,2,18/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(18,19)/rA:19nCOCCCCCCCN+CCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀NO₂₊
All Atoms:	39
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-26.2152
Area:	480.236
Solvation:	-38.2211
Coulombic:	21.6038

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	258.336
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.07
LogP (Chemaxon):	2.84

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value