methyl (2R)-1-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[4-(p-tolylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-[(4-methylphenyl)methylamino]-2-quinazolinyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-[(4-methylbenzyl)amino]quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCCC4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCCC[C@@H]4C(=O)OC

InChI

InChI=1S/C24H28N4O2/c1-17-10-12-18(13-11-17)15-25-23-19-7-3-4-8-20(19)26-22(27-23)16-28-14-6-5-9-21(28)24(29)30-2/h3-4,7-8,10-13,21H,5-6,9,14-16H2,1-2H3,(H,25,26,27)/p+1/t21-/m1/s1