cyclohexyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: cyclohexyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: cyclohexyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]-4-piperidyl]ammonium CAS Name: cyclohexyl-methyl-[1-[[3-(methylthio)anilino]-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: cyclohexyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: cyclohexyl-methyl-[1-[[3-(methylthio)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C20H32N3S2+ MolecularWeight: 378.61818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

C[NH+](C1CCCCC1)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H31N3S2/c1-22(17-8-4-3-5-9-17)18-11-13-23(14-12-18)20(24)21-16-7-6-10-19(15-16)25-2/h6-7,10,15,17-18H,3-5,8-9,11-14H2,1-2H3,(H,21,24)/p+1