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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-4-quinolone Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H22N2O/c1-13-15(12-19-10-6-2-3-7-11-19)17(20)14-8-4-5-9-16(14)18-13/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,20)/p+1