2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methylamino]-1-(3-nitrophenyl)ethanol hydrochloride

Systemtic Name: 2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methylamino]-1-(3-nitrophenyl)ethanol hydrochloride Openeye Name: 2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methylamino]-1-(3-nitrophenyl)ethanol hydrochloride CAS Name: 2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methylamino]-1-(3-nitrophenyl)ethanol hydrochloride IUPAC Name: 2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methylamino]-1-(3-nitrophenyl)ethanol hydrochloride Traditional Name: 2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methylamino]-1-(3-nitrophenyl)ethanol hydrochloride Formula: C23H31ClN2O5 MolecularWeight: 450.95564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCCC2)CNCC(C3=CC(=CC=C3)[N+](=O)[O-])O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCCC2)CNCC(C3=CC(=CC=C3)[N+](=O)[O-])O)OC.Cl

InChI

InChI=1S/C23H30N2O5.ClH/c1-29-21-10-9-18(14-22(21)30-2)23(11-4-3-5-12-23)16-24-15-20(26)17-7-6-8-19(13-17)25(27)28;/h6-10,13-14,20,24,26H,3-5,11-12,15-16H2,1-2H3;1H