methyl 3-[3-(azepan-1-ium-1-yl)propyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[3-(azepan-1-ium-1-yl)propyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[3-(azepan-1-ium-1-yl)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(azepan-1-ium-1-yl)propyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCC[NH+]3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCC[NH+]3CCCCCC3

InChI

InChI=1S/C19H25N3O4/c1-26-18(24)14-7-8-15-16(13-14)20-19(25)22(17(15)23)12-6-11-21-9-4-2-3-5-10-21/h7-8,13H,2-6,9-12H2,1H3,(H,20,25)/p+1