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

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-2-[2-(3,4-diethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide CAS Name: 2-[2-(3,4-diethoxyphenyl)ethylamino]-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-2-[2-(3,4-diethoxyphenyl)ethylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-2-[2-(3,4-diethoxyphenyl)ethylamino]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)CCNC2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CC=C3)OCC

InChI

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