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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(o-tolylmethylsulfanyl)acetamide CAS Name: 2-[(2-methylphenyl)methylthio]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-[(2-methylbenzyl)thio]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NN=C2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NN=C2CC[NH+](CC2)C

InChI

InChI=1S/C16H23N3OS/c1-13-5-3-4-6-14(13)11-21-12-16(20)18-17-15-7-9-19(2)10-8-15/h3-6H,7-12H2,1-2H3,(H,18,20)/p+1