ethyl (2R)-1-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(3-methoxypropylamino)-6-methyl-2-quinazolin-3-iumyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[4-(3-methoxypropylamino)-6-methylquinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-(3-methoxypropylamino)-6-methyl-quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C22H34N4O3+2 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=NC3=C(C=C(C=C3)C)C(=[NH+]2)NCCCOC

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=NC3=C(C=C(C=C3)C)C(=[NH+]2)NCCCOC

InChI

InChI=1S/C22H32N4O3/c1-4-29-22(27)19-8-5-6-12-26(19)15-20-24-18-10-9-16(2)14-17(18)21(25-20)23-11-7-13-28-3/h9-10,14,19H,4-8,11-13,15H2,1-3H3,(H,23,24,25)/p+2/t19-/m1/s1