N-phenethyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-phenethyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: 2-(benzylamino)-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: N-phenethyl-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(benzylamino)-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: 2-(benzylamino)-N-phenethyl-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)CCNC(=O)C2=C([NH+]=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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