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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-(dimethylamino)-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-(dimethylamino)-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-6-(dimethylamino)-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-(dimethylamino)-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-(dimethylamino)-2-methyl-4-quinolone Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O/c1-14-17(13-22-10-6-4-5-7-11-22)19(23)16-12-15(21(2)3)8-9-18(16)20-14/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,20,23)/p+1