methyl (2R)-1-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-2-quinazolinyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-(1,3-benzodioxol-5-ylamino)-8-methylquinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCCCC5C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCCC[C@@H]5C(=O)OC

InChI

InChI=1S/C24H26N4O4/c1-15-6-5-7-17-22(15)26-21(13-28-11-4-3-8-18(28)24(29)30-2)27-23(17)25-16-9-10-19-20(12-16)32-14-31-19/h5-7,9-10,12,18H,3-4,8,11,13-14H2,1-2H3,(H,25,26,27)/p+1/t18-/m1/s1