Chemical ID: 3969079

C[NH+](CCc1ccc(c(c1)OC)OC)CCc2ccc(c(c2)OC)OC
Chemical ID:
3969079
Name [?]:
bis[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium
SMILES [?]:
C[NH+](CCc1ccc(c(c1)OC)OC)CCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,26,12,24,6,18,7,19,4,16,3,15,10,22,5,17,8,20,9,21,2,13,25,11,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(25,26)/rA:26nCN+CCCCCCCCOCOCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s2;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30NO4+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-26.8454
Area:618.718
Solvation:-42.3134
Coulombic:5.18775
Bond Count [?]
All:27
Single:21
Double:6
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:360.467
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):3.2

Name Annotations

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Descriptor Annotations

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