ethyl (2R)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-quinazolin-3-iumyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[4-[methyl(veratryl)amino]quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C27H36N4O4+2 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N(C)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N(C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H34N4O4/c1-5-35-27(32)22-12-8-9-15-31(22)18-25-28-21-11-7-6-10-20(21)26(29-25)30(2)17-19-13-14-23(33-3)24(16-19)34-4/h6-7,10-11,13-14,16,22H,5,8-9,12,15,17-18H2,1-4H3/p+2/t22-/m1/s1