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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C)(C)COC2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1CCCC(N1C)(C)COC2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-].Cl

InChI

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