ethyl (3S)-1-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(6,7-dimethoxy-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[6,7-dimethoxy-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6,7-dimethoxy-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(6,7-dimethoxy-4-pyrrolidino-quinazolin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H33N4O4+ MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC3=CC(=C(C=C3C(=N2)N4CCCC4)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC3=CC(=C(C=C3C(=N2)N4CCCC4)OC)OC

InChI

InChI=1S/C23H32N4O4/c1-4-31-23(28)16-8-7-9-26(14-16)15-21-24-18-13-20(30-3)19(29-2)12-17(18)22(25-21)27-10-5-6-11-27/h12-13,16H,4-11,14-15H2,1-3H3/p+1/t16-/m0/s1