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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: 6-(benzylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(benzylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(benzylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridin-1-ium-3-carboxamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3)OCC

InChI

InChI=1S/C25H29N3O3/c1-3-30-22-12-10-19(16-23(22)31-4-2)14-15-26-25(29)21-11-13-24(28-18-21)27-17-20-8-6-5-7-9-20/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,26,29)(H,27,28)/p+1