3-(azepan-1-ium-1-ylmethyl)-2,6-dimethyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2,6-dimethyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2,6-dimethyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2,6-dimethyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2,6-dimethyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2,6-dimethyl-4-quinolone Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H24N2O/c1-13-7-8-17-15(11-13)18(21)16(14(2)19-17)12-20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21)/p+1