cyclopentyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium

Systemtic Name: cyclopentyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cyclopentyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cyclopentyl-[1-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cyclopentyl-[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: [1-[(4-carbethoxyphenyl)thiocarbamoyl]-4-piperidyl]-cyclopentyl-methyl-ammonium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCC3

InChI

InChI=1S/C21H31N3O2S/c1-3-26-20(25)16-8-10-17(11-9-16)22-21(27)24-14-12-19(13-15-24)23(2)18-6-4-5-7-18/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,27)/p+1