sodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 4,4-diphenyl-N-propan-2-yl-cyclohexan-1-amine; hydrochloride

Systemtic Name: sodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 4,4-diphenyl-N-propan-2-yl-cyclohexan-1-amine; hydrochloride Openeye Name: sodium; [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; N-isopropyl-4,4-diphenyl-cyclohexanamine; hydrochloride CAS Name: sodium; [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonate; 4,4-diphenyl-N-propan-2-yl-1-cyclohexanamine; hydrochloride IUPAC Name: sodium; [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate; 4,4-diphenyl-N-propan-2-ylcyclohexan-1-amine; hydrochloride Traditional Name: sodium; (4,4-diphenylcyclohexyl)-isopropyl-amine; [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate; hydrochloride Formula: C34H44ClN4NaO4S MolecularWeight: 663.24533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC(C)NC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC(C)NC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].Cl

InChI

InChI=1S/C21H27N.C13H17N3O4S.ClH.Na/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h3-12,17,20,22H,13-16H2,1-2H3;4-8H,9H2,1-3H3,(H,18,19,20);1H;/q;;;+1/p-1