3-[[2,6-dimethyl-4-(3-nitrophenyl)phenoxy]methyl]-1-methyl-piperidine hydrochloride

Systemtic Name: 3-[[2,6-dimethyl-4-(3-nitrophenyl)phenoxy]methyl]-1-methyl-piperidine hydrochloride Openeye Name: 3-[[2,6-dimethyl-4-(3-nitrophenyl)phenoxy]methyl]-1-methyl-piperidine hydrochloride CAS Name: 3-[[2,6-dimethyl-4-(3-nitrophenyl)phenoxy]methyl]-1-methylpiperidine hydrochloride IUPAC Name: 3-[[2,6-dimethyl-4-(3-nitrophenyl)phenoxy]methyl]-1-methylpiperidine hydrochloride Traditional Name: 3-[[2,6-dimethyl-4-(3-nitrophenyl)phenoxy]methyl]-1-methyl-piperidine hydrochloride Formula: C21H27ClN2O3 MolecularWeight: 390.90368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2CCCN(C2)C)C)C3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2CCCN(C2)C)C)C3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H26N2O3.ClH/c1-15-10-19(18-7-4-8-20(12-18)23(24)25)11-16(2)21(15)26-14-17-6-5-9-22(3)13-17;/h4,7-8,10-12,17H,5-6,9,13-14H2,1-3H3;1H