methyl (2R)-1-[(6,7-dimethoxy-4-piperidin-1-yl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(6,7-dimethoxy-4-piperidin-1-yl-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[6,7-dimethoxy-4-(1-piperidyl)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[6,7-dimethoxy-4-(1-piperidinyl)-2-quinazolinyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(6,7-dimethoxy-4-piperidino-quinazolin-2-yl)methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCCCC3C(=O)OC)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCCC[C@@H]3C(=O)OC)N4CCCCC4)OC

InChI

InChI=1S/C23H32N4O4/c1-29-19-13-16-17(14-20(19)30-2)24-21(25-22(16)26-10-6-4-7-11-26)15-27-12-8-5-9-18(27)23(28)31-3/h13-14,18H,4-12,15H2,1-3H3/p+1/t18-/m1/s1