(2-oxidanylidene-8-propan-2-yl-1H-quinolin-3-yl)methyl-phenethyl-azanium

Systemtic Name: (2-oxidanylidene-8-propan-2-yl-1H-quinolin-3-yl)methyl-phenethyl-azanium Openeye Name: (8-isopropyl-2-oxo-1H-quinolin-3-yl)methyl-phenethyl-ammonium CAS Name: (2-oxo-8-propan-2-yl-1H-quinolin-3-yl)methyl-phenethylammonium IUPAC Name: (2-oxo-8-propan-2-yl-1H-quinolin-3-yl)methyl-phenethylazanium Traditional Name: (8-isopropyl-2-keto-1H-quinolin-3-yl)methyl-phenethyl-ammonium Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1NC(=O)C(=C2)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C1NC(=O)C(=C2)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c1-15(2)19-10-6-9-17-13-18(21(24)23-20(17)19)14-22-12-11-16-7-4-3-5-8-16/h3-10,13,15,22H,11-12,14H2,1-2H3,(H,23,24)/p+1