2-(phenethylamino)-N-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-(phenethylamino)-N-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-benzyl-2-(phenethylamino)pyridin-1-ium-3-carboxamide CAS Name: 2-(phenethylamino)-N-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-benzyl-2-(phenethylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-benzyl-2-(phenethylamino)pyridin-1-ium-3-carboxamide Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c25-21(24-16-18-10-5-2-6-11-18)19-12-7-14-22-20(19)23-15-13-17-8-3-1-4-9-17/h1-12,14H,13,15-16H2,(H,22,23)(H,24,25)/p+1