methyl (2S)-1-[[4-(2-methoxyethylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[[4-(2-methoxyethylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[4-(2-methoxyethylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[4-(2-methoxyethylamino)-8-methyl-2-quinazolinyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[4-(2-methoxyethylamino)-8-methylquinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[4-(2-methoxyethylamino)-8-methyl-quinazolin-2-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NCCOC)C[NH+]3CCCCC3C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NCCOC)C[NH+]3CCCC[C@H]3C(=O)OC

InChI

InChI=1S/C20H28N4O3/c1-14-7-6-8-15-18(14)22-17(23-19(15)21-10-12-26-2)13-24-11-5-4-9-16(24)20(25)27-3/h6-8,16H,4-5,9-13H2,1-3H3,(H,21,22,23)/p+1/t16-/m0/s1