cycloheptyl-[1-[(2,6-diethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium

Systemtic Name: cycloheptyl-[1-[(2,6-diethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cycloheptyl-[1-[(2,6-diethylphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cycloheptyl-[1-[(2,6-diethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cycloheptyl-[1-[(2,6-diethylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: cycloheptyl-[1-[(2,6-diethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-ammonium Formula: C24H40N3S+ MolecularWeight: 402.6595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCCC3

InChI

InChI=1S/C24H39N3S/c1-4-19-11-10-12-20(5-2)23(19)25-24(28)27-17-15-22(16-18-27)26(3)21-13-8-6-7-9-14-21/h10-12,21-22H,4-9,13-18H2,1-3H3,(H,25,28)/p+1