ethyl (2R)-1-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[4-(2-thienylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(thiophen-2-ylmethylamino)-2-quinazolinyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(2-thenylamino)quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c1-2-28-22(27)19-11-5-6-12-26(19)15-20-24-18-10-4-3-9-17(18)21(25-20)23-14-16-8-7-13-29-16/h3-4,7-10,13,19H,2,5-6,11-12,14-15H2,1H3,(H,23,24,25)/p+1/t19-/m1/s1