[2-(5-bromanyl-2,4-dimethoxy-phenyl)-2-oxidanylidene-ethyl]-(3-methylphenyl)-piperidin-2-ylidene-azanium

Systemtic Name: [2-(5-bromanyl-2,4-dimethoxy-phenyl)-2-oxidanylidene-ethyl]-(3-methylphenyl)-piperidin-2-ylidene-azanium Openeye Name: [2-(5-bromo-2,4-dimethoxy-phenyl)-2-oxo-ethyl]-(m-tolyl)-(2-piperidylidene)ammonium CAS Name: [2-(5-bromo-2,4-dimethoxyphenyl)-2-oxoethyl]-(3-methylphenyl)-(2-piperidinylidene)ammonium IUPAC Name: [2-(5-bromo-2,4-dimethoxyphenyl)-2-oxoethyl]-(3-methylphenyl)-piperidin-2-ylideneazanium Traditional Name: [2-(5-bromo-2,4-dimethoxy-phenyl)-2-keto-ethyl]-(m-tolyl)-(2-piperidylidene)ammonium Formula: C22H26BrN2O3+ MolecularWeight: 446.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+](=C2CCCCN2)CC(=O)C3=CC(=C(C=C3OC)OC)Br

Isomeric SMILES

CC1=CC(=CC=C1)[N+](=C2CCCCN2)CC(=O)C3=CC(=C(C=C3OC)OC)Br

InChI

InChI=1S/C22H25BrN2O3/c1-15-7-6-8-16(11-15)25(22-9-4-5-10-24-22)14-19(26)17-12-18(23)21(28-3)13-20(17)27-2/h6-8,11-13H,4-5,9-10,14H2,1-3H3/p+1