butan-2-yl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: butan-2-yl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]-4-piperidyl]-sec-butyl-ammonium CAS Name: butan-2-yl-methyl-[1-[[3-(methylthio)anilino]-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: butan-2-yl-methyl-[1-[(3-methylsulfanylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: methyl-[1-[[3-(methylthio)phenyl]thiocarbamoyl]-4-piperidyl]-sec-butyl-ammonium Formula: C18H30N3S2+ MolecularWeight: 352.5809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3S2/c1-5-14(2)20(3)16-9-11-21(12-10-16)18(22)19-15-7-6-8-17(13-15)23-4/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,19,22)/p+1