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

Systemtic Name: butan-2-yl-[1-[(3-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: [1-[(3-methoxyphenyl)carbamothioyl]-4-piperidyl]-methyl-sec-butyl-ammonium CAS Name: butan-2-yl-[1-[(3-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: butan-2-yl-[1-[(3-methoxyphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(3-methoxyphenyl)thiocarbamoyl]-4-piperidyl]-methyl-sec-butyl-ammonium Formula: C18H30N3OS+ MolecularWeight: 336.5153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3OS/c1-5-14(2)20(3)16-9-11-21(12-10-16)18(23)19-15-7-6-8-17(13-15)22-4/h6-8,13-14,16H,5,9-12H2,1-4H3,(H,19,23)/p+1