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

Systemtic Name: butan-2-yl-[1-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: [1-[(3-chloro-4-methyl-phenyl)carbamothioyl]-4-piperidyl]-methyl-sec-butyl-ammonium CAS Name: butan-2-yl-[1-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: butan-2-yl-[1-[(3-chloro-4-methylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(3-chloro-4-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=CC(=C(C=C2)C)Cl

Isomeric SMILES

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

InChI

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