1-[5-azanyl-1-ethyl-4,6-dimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone

Systemtic Name: 1-[5-azanyl-1-ethyl-4,6-dimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone Openeye Name: 1-[5-amino-1-ethyl-4,6-dimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone CAS Name: 1-[5-amino-1-ethyl-4,6-dimethyl-3-(4-tetradecoxyphenyl)-2-pyridin-1-iumyl]ethanone IUPAC Name: 1-[5-amino-1-ethyl-4,6-dimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone Traditional Name: 1-[5-amino-1-ethyl-4,6-dimethyl-3-(4-myristyloxyphenyl)pyridin-1-ium-2-yl]ethanone Formula: C31H49N2O2+ MolecularWeight: 481.73296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C([N+](=C2C(=O)C)CC)C)N)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C([N+](=C2C(=O)C)CC)C)N)C

InChI

InChI=1S/C31H48N2O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-23-35-28-21-19-27(20-22-28)29-24(3)30(32)25(4)33(7-2)31(29)26(5)34/h19-22H,6-18,23H2,1-5H3,(H-,32,34)/p+1