[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium

Systemtic Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Openeye Name: [1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-(tetrahydrofuran-2-ylmethyl)ammonium CAS Name: [1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-oxolanylmethyl)ammonium IUPAC Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Traditional Name: [1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-(tetrahydrofurfuryl)ammonium Formula: C20H32N3OS+ MolecularWeight: 362.55258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3)C

InChI

InChI=1S/C20H31N3OS/c1-15-11-16(2)13-17(12-15)21-20(25)23-8-6-18(7-9-23)22(3)14-19-5-4-10-24-19/h11-13,18-19H,4-10,14H2,1-3H3,(H,21,25)/p+1