N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(3-thienyl)acetamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-thiophen-3-ylacetamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(3-thienyl)acetamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CSC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CSC=C3

InChI

InChI=1S/C20H21N3OS/c1-23(14-16-6-3-2-4-7-16)20-18(8-5-10-21-20)13-22-19(24)12-17-9-11-25-15-17/h2-11,15H,12-14H2,1H3,(H,22,24)/p+1