3-(azepan-1-ium-1-ylmethyl)-6-ethanoyl-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-ethanoyl-2-methyl-1H-quinolin-4-one Openeye Name: 6-acetyl-3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-quinolin-4-one CAS Name: 6-acetyl-3-(1-azepan-1-iumylmethyl)-2-methyl-1H-quinolin-4-one IUPAC Name: 6-acetyl-3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-quinolin-4-one Traditional Name: 6-acetyl-3-(azepan-1-ium-1-ylmethyl)-2-methyl-4-quinolone Formula: C19H25N2O2+ MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)C)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H24N2O2/c1-13-17(12-21-9-5-3-4-6-10-21)19(23)16-11-15(14(2)22)7-8-18(16)20-13/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,23)/p+1