6-[(phenylmethyl)amino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(phenylmethyl)amino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(benzylamino)-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 6-[(phenylmethyl)amino]-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(benzylamino)-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(benzylamino)-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H17N3OS/c22-18(21-13-16-7-4-10-23-16)15-8-9-17(20-12-15)19-11-14-5-2-1-3-6-14/h1-10,12H,11,13H2,(H,19,20)(H,21,22)/p+1