(4-methylpiperidin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methyl-1-piperidyl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methyl-1-piperidinyl)-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-methylpiperidino)-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]methanone Formula: C20H31N2OS+ MolecularWeight: 347.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H30N2OS/c1-16-7-13-22(14-8-16)20(23)18-9-11-21(12-10-18)15-17-3-5-19(24-2)6-4-17/h3-6,16,18H,7-15H2,1-2H3/p+1