3-(azepan-1-ium-1-ylmethyl)-2,7,8-trimethyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2,7,8-trimethyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2,7,8-trimethyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2,7,8-trimethyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2,7,8-trimethyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2,7,8-trimethyl-4-quinolone Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C19H26N2O/c1-13-8-9-16-18(14(13)2)20-15(3)17(19(16)22)12-21-10-6-4-5-7-11-21/h8-9H,4-7,10-12H2,1-3H3,(H,20,22)/p+1