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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-bromanyl-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-bromo-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-6-bromo-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-bromo-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-bromo-2-methyl-4-quinolone Formula: C17H22BrN2O+ MolecularWeight: 350.27338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O/c1-12-15(11-20-8-4-2-3-5-9-20)17(21)14-10-13(18)6-7-16(14)19-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,21)/p+1