[(1R)-2-(cyclopentylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)azanium

Systemtic Name: [(1R)-2-(cyclopentylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)azanium Openeye Name: [(1R)-2-(cyclopentylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl-(3,3-dimethyl-5-oxo-cyclohexylidene)ammonium CAS Name: [(1R)-2-[(cyclopentylamino)-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl-(3,3-dimethyl-5-oxocyclohexylidene)ammonium IUPAC Name: [(1R)-2-(cyclopentylcarbamothioyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl-(3,3-dimethyl-5-oxocyclohexylidene)azanium Traditional Name: [(1R)-2-(cyclopentylthiocarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl-(5-keto-3,3-dimethyl-cyclohexylidene)ammonium Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[NH+]CC2C3=CC=CC=C3CCN2C(=S)NC4CCCC4)CC(=O)C1)C

Isomeric SMILES

CC1(CC(=[NH+]C[C@H]2C3=CC=CC=C3CCN2C(=S)NC4CCCC4)CC(=O)C1)C

InChI

InChI=1S/C24H33N3OS/c1-24(2)14-19(13-20(28)15-24)25-16-22-21-10-6-3-7-17(21)11-12-27(22)23(29)26-18-8-4-5-9-18/h3,6-7,10,18,22H,4-5,8-9,11-16H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1