2-[(2-chlorophenyl)methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylamino]-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[(2-chlorophenyl)methylamino]-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylamino]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)amino]-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C18H17ClN3OS+ MolecularWeight: 358.86508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CS3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CS3)Cl

InChI

InChI=1S/C18H16ClN3OS/c19-16-8-2-1-5-13(16)11-21-17-15(7-3-9-20-17)18(23)22-12-14-6-4-10-24-14/h1-10H,11-12H2,(H,20,21)(H,22,23)/p+1