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

Systemtic Name: butan-2-yl-[1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: [1-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidyl]-methyl-sec-butyl-ammonium CAS Name: butan-2-yl-[1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: butan-2-yl-[1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-sec-butyl-ammonium Formula: C18H29ClN3S+ MolecularWeight: 354.96096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3S/c1-5-13(2)21(4)15-9-11-22(12-10-15)18(23)20-17-8-6-7-16(19)14(17)3/h6-8,13,15H,5,9-12H2,1-4H3,(H,20,23)/p+1