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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-phenylmethoxy-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-benzyloxy-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-6-phenylmethoxy-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-phenylmethoxy-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-benzoxy-2-methyl-4-quinolone Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H28N2O2/c1-18-22(16-26-13-7-2-3-8-14-26)24(27)21-15-20(11-12-23(21)25-18)28-17-19-9-5-4-6-10-19/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3,(H,25,27)/p+1