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

Systemtic Name: methyl (2R)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-3-ium-2-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C26H34N4O4+2 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCCCC4C(=O)OC

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCCC[C@@H]4C(=O)OC

InChI

InChI=1S/C26H32N4O4/c1-29(16-18-12-13-22(32-2)23(15-18)33-3)25-19-9-5-6-10-20(19)27-24(28-25)17-30-14-8-7-11-21(30)26(31)34-4/h5-6,9-10,12-13,15,21H,7-8,11,14,16-17H2,1-4H3/p+2/t21-/m1/s1