methyl 2-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H29N3O3/c1-17-3-5-18(6-4-17)7-8-19-11-13-28(14-12-19)16-23-26-22-15-20(25(30)31-2)9-10-21(22)24(29)27-23/h3-6,9-10,15,19H,7-8,11-14,16H2,1-2H3,(H,26,27,29)/p+1