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

Systemtic Name: (2R)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-2-benzylsulfanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide CAS Name: (2R)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(phenylmethylthio)propanamide IUPAC Name: (2R)-2-benzylsulfanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide Traditional Name: (2R)-2-(benzylthio)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propionamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=C1CC[NH+](CC1)C)SCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NN=C1CC[NH+](CC1)C)SCC2=CC=CC=C2

InChI

InChI=1S/C16H23N3OS/c1-13(21-12-14-6-4-3-5-7-14)16(20)18-17-15-8-10-19(2)11-9-15/h3-7,13H,8-12H2,1-2H3,(H,18,20)/p+1/t13-/m1/s1