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

Systemtic Name: [1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Openeye Name: [1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidyl]-methyl-(tetrahydrofuran-2-ylmethyl)ammonium CAS Name: [1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(2-oxolanylmethyl)ammonium IUPAC Name: [1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-(oxolan-2-ylmethyl)azanium Traditional Name: methyl-[1-(p-phenetylthiocarbamoyl)-4-piperidyl]-(tetrahydrofurfuryl)ammonium Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)CC3CCCO3

InChI

InChI=1S/C20H31N3O2S/c1-3-24-18-8-6-16(7-9-18)21-20(26)23-12-10-17(11-13-23)22(2)15-19-5-4-14-25-19/h6-9,17,19H,3-5,10-15H2,1-2H3,(H,21,26)/p+1