2-(2,3-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)sulfanyl-N-methyl-N-(phenylmethyl)ethanamine

Systemtic Name: 2-(2,3-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)sulfanyl-N-methyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-(2,3-dimethyl-1-oxido-pyridin-1-ium-4-yl)sulfanyl-N-methyl-ethanamine CAS Name: 2-[(2,3-dimethyl-1-oxido-4-pyridin-1-iumyl)thio]-N-methyl-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-2-(2,3-dimethyl-1-oxidopyridin-1-ium-4-yl)sulfanyl-N-methylethanamine Traditional Name: benzyl-[2-[(2,3-dimethyl-1-oxido-pyridin-1-ium-4-yl)thio]ethyl]-methyl-amine Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1C)[O-])SCCN(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C[N+](=C1C)[O-])SCCN(C)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N2OS/c1-14-15(2)19(20)10-9-17(14)21-12-11-18(3)13-16-7-5-4-6-8-16/h4-10H,11-13H2,1-3H3