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

Systemtic Name: butan-2-yl-[1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: [1-[(3-chlorophenyl)carbamothioyl]-4-piperidyl]-methyl-sec-butyl-ammonium CAS Name: butan-2-yl-[1-[(3-chloroanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: butan-2-yl-[1-[(3-chlorophenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(3-chlorophenyl)thiocarbamoyl]-4-piperidyl]-methyl-sec-butyl-ammonium Formula: C17H27ClN3S+ MolecularWeight: 340.93438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3S/c1-4-13(2)20(3)16-8-10-21(11-9-16)17(22)19-15-7-5-6-14(18)12-15/h5-7,12-13,16H,4,8-11H2,1-3H3,(H,19,22)/p+1