3-[N-(2-azanylethyl)-C-methyl-carbonimidoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[N-(2-azanylethyl)-C-methyl-carbonimidoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[N-(2-aminoethyl)-C-methyl-carbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[1-(2-aminoethylimino)ethyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[N-(2-aminoethyl)-C-methyl-carbonimidoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c1-9(16-8-7-15)12-13(18)10-5-3-4-6-11(10)17(2)14(12)19/h3-6,12H,7-8,15H2,1-2H3/p+1