[1-[(2-ethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3

InChI

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