2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-6-methyl-4-oxidanylidene-2-phenethyl-pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-6-methyl-4-oxidanylidene-2-phenethyl-pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methyl-4-oxo-2-phenethyl-1-pyridyl]ethyl-dimethyl-ammonium CAS Name: 2-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-6-methyl-4-oxo-2-phenethyl-1-pyridinyl]ethyl-dimethylammonium IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methyl-4-oxo-2-phenethylpyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-6-methyl-2-phenethyl-1-pyridyl]ethyl-dimethyl-ammonium Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H33N3O2/c1-21-19-26(32)27(28(33)30-16-15-23-11-7-8-12-24(23)20-30)25(31(21)18-17-29(2)3)14-13-22-9-5-4-6-10-22/h4-12,19H,13-18,20H2,1-3H3/p+1