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

Systemtic Name: ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-3-ium-2-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methyl-amino]quinazolin-3-ium-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-quinazolin-3-iumyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-3-ium-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-[methyl(veratryl)amino]quinazolin-3-ium-2-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H34N5O4+ MolecularWeight: 480.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=[NH+]2)N(C)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3C(=[NH+]2)N(C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H33N5O4/c1-5-35-26(32)31-14-12-30(13-15-31)18-24-27-21-9-7-6-8-20(21)25(28-24)29(2)17-19-10-11-22(33-3)23(16-19)34-4/h6-11,16H,5,12-15,17-18H2,1-4H3/p+1