N-(4-bromophenyl)-2-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-2-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: 2-(benzylamino)-N-(4-bromophenyl)pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromophenyl)-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(benzylamino)-N-(4-bromophenyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(benzylamino)-N-(4-bromophenyl)pyridin-1-ium-3-carboxamide Formula: C19H17BrN3O+ MolecularWeight: 383.26178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrN3O/c20-15-8-10-16(11-9-15)23-19(24)17-7-4-12-21-18(17)22-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22)(H,23,24)/p+1