methyl-[[7-methyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]-phenethyl-azanium

Systemtic Name: methyl-[[7-methyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]-phenethyl-azanium Openeye Name: methyl-[[7-methyl-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl]-phenethyl-ammonium CAS Name: methyl-[[7-methyl-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl]-phenethylammonium IUPAC Name: methyl-[[7-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]-phenethylazanium Traditional Name: [2-keto-7-methyl-1-(2-pyridylmethyl)-3-quinolyl]methyl-methyl-phenethyl-ammonium Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=N3)C[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=N3)C[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-20-11-12-22-17-23(18-28(2)15-13-21-8-4-3-5-9-21)26(30)29(25(22)16-20)19-24-10-6-7-14-27-24/h3-12,14,16-17H,13,15,18-19H2,1-2H3/p+1