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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-propoxy-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-propoxy-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-6-propoxy-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-propoxy-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-6-propoxy-4-quinolone Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C20H28N2O2/c1-3-12-24-16-8-9-19-17(13-16)20(23)18(15(2)21-19)14-22-10-6-4-5-7-11-22/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,21,23)/p+1