Chemical ID: 7213304

C[NH+](CCC(=O)Nc1cc(cc(c1)OC)OC)Cc2ccccc2
Chemical ID:
7213304
Name [?]:
benzyl-[2-[(3,5-dimethoxyphenyl)carbamoyl]ethyl]-methyl-ammonium
SMILES [?]:
C[NH+](CCC(=O)Nc1cc(cc(c1)OC)OC)Cc2ccccc2
InChi [?]:
InChI=1/C19H24N2O3/c1-21(14-15-7-5-4-6-8-15)10-9-19(22)20-16-11-17(23-2)13-18(12-16)24-3/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,15,17,22,21,23,20,24,4,3,13,9,11,18,19,8,12,10,5,7,2,6,14,16/E:(2,3)(5,6)(7,8)(11,12)(17,18)(23,24)/rA:24cCN+CCCONCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s10;s16;s2;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N2O3+
All Atoms:49
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-21.5738
Area:564.091
Solvation:-35.6761
Coulombic:-2.87609
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:329.413
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.5
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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