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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O

InChI

InChI=1S/C19H25N3O4/c1-13-6-10-21(11-7-13)8-3-9-22-17(23)15-5-4-14(18(24)26-2)12-16(15)20-19(22)25/h4-5,12-13H,3,6-11H2,1-2H3,(H,20,25)/p+1