(3S)-N-cyclopropyl-1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C22H35N3OS+2 MolecularWeight: 389.5978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C22H33N3OS/c1-27-21-6-2-4-17(14-21)15-24-12-9-20(10-13-24)25-11-3-5-18(16-25)22(26)23-19-7-8-19/h2,4,6,14,18-20H,3,5,7-13,15-16H2,1H3,(H,23,26)/p+2/t18-/m0/s1