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

Systemtic Name: butan-2-yl-[1-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: [1-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-4-piperidyl]-methyl-sec-butyl-ammonium CAS Name: butan-2-yl-[1-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: butan-2-yl-[1-[(3-chloro-4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-sec-butyl-ammonium Formula: C18H29ClN3OS+ MolecularWeight: 370.96036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3OS/c1-5-13(2)21(3)15-8-10-22(11-9-15)18(24)20-14-6-7-17(23-4)16(19)12-14/h6-7,12-13,15H,5,8-11H2,1-4H3,(H,20,24)/p+1