6-(azepan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(1-azepanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(azepan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C[NH+]=C(C=C2)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C[NH+]=C(C=C2)N3CCCCCC3)OCC

InChI

InChI=1S/C24H33N3O3/c1-3-29-21-11-9-19(17-22(21)30-4-2)13-14-25-24(28)20-10-12-23(26-18-20)27-15-7-5-6-8-16-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,25,28)/p+1