cyclohexyl-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium

Systemtic Name: cyclohexyl-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cyclohexyl-[1-[(4-ethoxyphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cyclohexyl-[1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cyclohexyl-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: cyclohexyl-methyl-[1-(p-phenetylthiocarbamoyl)-4-piperidyl]ammonium Formula: C21H34N3OS+ MolecularWeight: 376.57916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCC3

InChI

InChI=1S/C21H33N3OS/c1-3-25-20-11-9-17(10-12-20)22-21(26)24-15-13-19(14-16-24)23(2)18-7-5-4-6-8-18/h9-12,18-19H,3-8,13-16H2,1-2H3,(H,22,26)/p+1