[1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-yl-azanium

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-yl-azanium Openeye Name: [1-[(4-ethoxycarbonylphenyl)carbamothioyl]-4-piperidyl]-isopropyl-methyl-ammonium CAS Name: [1-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-propan-2-ylammonium IUPAC Name: [1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-ylazanium Traditional Name: [1-[(4-carbethoxyphenyl)thiocarbamoyl]-4-piperidyl]-isopropyl-methyl-ammonium Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-5-24-18(23)15-6-8-16(9-7-15)20-19(25)22-12-10-17(11-13-22)21(4)14(2)3/h6-9,14,17H,5,10-13H2,1-4H3,(H,20,25)/p+1