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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-isobutoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-isobutoxy-2-methyl-4-quinolone Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H30N2O2/c1-15(2)14-25-17-8-9-20-18(12-17)21(24)19(16(3)22-20)13-23-10-6-4-5-7-11-23/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,22,24)/p+1