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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3OS/c1-15-6-4-8-19(16(15)2)21-20(25)23-11-9-17(10-12-23)22(3)14-18-7-5-13-24-18/h4,6,8,17-18H,5,7,9-14H2,1-3H3,(H,21,25)/p+1