N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(benzylthio)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CSCC2=CC=CC=C2)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CSCC2=CC=CC=C2)CC1

InChI

InChI=1S/C15H21N3OS/c1-18-9-7-14(8-10-18)16-17-15(19)12-20-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,19)/p+1