3-(N-butan-2-yl-C-methyl-carbonimidoyl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-(N-butan-2-yl-C-methyl-carbonimidoyl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-(C-methyl-N-sec-butyl-carbonimidoyl)-3H-quinolin-1-ium-4-one CAS Name: 3-(1-butan-2-yliminoethyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-(N-butan-2-yl-C-methylcarbonimidoyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-(C-methyl-N-sec-butyl-carbonimidoyl)-3H-quinolin-1-ium-4-one Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(C)C1C(=O)C2=CC=CC=C2[N+](=C1O)C

Isomeric SMILES

CCC(C)N=C(C)C1C(=O)C2=CC=CC=C2[N+](=C1O)C

InChI

InChI=1S/C16H20N2O2/c1-5-10(2)17-11(3)14-15(19)12-8-6-7-9-13(12)18(4)16(14)20/h6-10,14H,5H2,1-4H3/p+1