sodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 1,1-diphenyl-3-piperidin-1-yl-propan-1-ol; methanesulfonic acid

Systemtic Name: sodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 1,1-diphenyl-3-piperidin-1-yl-propan-1-ol; methanesulfonic acid Openeye Name: sodium; [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 1,1-diphenyl-3-(1-piperidyl)propan-1-ol; methanesulfonic acid CAS Name: sodium; [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonate; 1,1-diphenyl-3-(1-piperidinyl)-1-propanol; methanesulfonic acid IUPAC Name: sodium; [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate; 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol; methanesulfonic acid Traditional Name: sodium; 1,1-diphenyl-3-piperidino-propan-1-ol; [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate; mesylic acid Formula: C34H45N4NaO8S2 MolecularWeight: 724.86287

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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-].CS(=O)(=O)O.C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CS(=O)(=O)O.C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Na+]

InChI

InChI=1S/C20H25NO.C13H17N3O4S.CH4O3S.Na/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;1-5(2,3)4;/h1-2,4-7,10-13,22H,3,8-9,14-17H2;4-8H,9H2,1-3H3,(H,18,19,20);1H3,(H,2,3,4);/q;;;+1/p-1