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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-phenoxy-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-phenoxy-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-6-phenoxy-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-phenoxy-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-phenoxy-4-quinolone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H26N2O2/c1-17-21(16-25-13-7-2-3-8-14-25)23(26)20-15-19(11-12-22(20)24-17)27-18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,24,26)/p+1