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

Systemtic Name: methyl-(3-methylbutyl)-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]-4-piperidyl]ammonium CAS Name: methyl-(3-methylbutyl)-[1-[[3-(methylthio)anilino]-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: isoamyl-methyl-[1-[[3-(methylthio)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C19H32N3S2+ MolecularWeight: 366.60748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)CC[NH+](C)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C19H31N3S2/c1-15(2)8-11-21(3)17-9-12-22(13-10-17)19(23)20-16-6-5-7-18(14-16)24-4/h5-7,14-15,17H,8-13H2,1-4H3,(H,20,23)/p+1