1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone

Systemtic Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone Openeye Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone CAS Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)-4-pyridin-1-iumyl]ethanone IUPAC Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone Traditional Name: 1-[3-(aminomethyl)-1-methyl-2-(4-myristyloxyphenyl)pyridin-1-ium-4-yl]ethanone Formula: C29H45N2O2+ MolecularWeight: 453.6798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C=CC(=C2CN)C(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C=CC(=C2CN)C(=O)C)C

InChI

InChI=1S/C29H45N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-33-26-18-16-25(17-19-26)29-28(23-30)27(24(2)32)20-21-31(29)3/h16-21H,4-15,22-23,30H2,1-3H3/q+1