[3-(4-chlorophenyl)-2-(methylamino)-3-oxidanylidene-propanoyl]-cyclohexyl-phenyl-propan-2-yl-azanium hydrochloride

Systemtic Name: [3-(4-chlorophenyl)-2-(methylamino)-3-oxidanylidene-propanoyl]-cyclohexyl-phenyl-propan-2-yl-azanium hydrochloride Openeye Name: [3-(4-chlorophenyl)-2-(methylamino)-3-oxo-propanoyl]-cyclohexyl-isopropyl-phenyl-ammonium hydrochloride CAS Name: [3-(4-chlorophenyl)-2-(methylamino)-1,3-dioxopropyl]-cyclohexyl-phenyl-propan-2-ylammonium hydrochloride IUPAC Name: [3-(4-chlorophenyl)-2-(methylamino)-3-oxopropanoyl]-cyclohexyl-phenyl-propan-2-ylazanium hydrochloride Traditional Name: [3-(4-chlorophenyl)-3-keto-2-(methylamino)propanoyl]-cyclohexyl-isopropyl-phenyl-ammonium hydrochloride Formula: C25H33Cl2N2O2+ MolecularWeight: 464.44772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C1CCCCC1)(C2=CC=CC=C2)C(=O)C(C(=O)C3=CC=C(C=C3)Cl)NC.Cl

Isomeric SMILES

CC(C)[N+](C1CCCCC1)(C2=CC=CC=C2)C(=O)C(C(=O)C3=CC=C(C=C3)Cl)NC.Cl

InChI

InChI=1S/C25H32ClN2O2.ClH/c1-18(2)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25(30)23(27-3)24(29)19-14-16-20(26)17-15-19;/h4,6-7,10-11,14-18,22-23,27H,5,8-9,12-13H2,1-3H3;1H/q+1;