[(3S)-3-methylpiperidin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [(3S)-3-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:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H30N2OS/c1-16-4-3-11-22(14-16)20(23)18-9-12-21(13-10-18)15-17-5-7-19(24-2)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3/p+1/t16-/m0/s1