2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-4-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-methyl-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C23H30N7O3+ MolecularWeight: 452.5294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CN1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H29N7O3/c1-28-10-11-30(18(14-28)13-21(24)31,15-17-4-5-19(32-2)20(12-17)33-3)22-6-7-26-23(27-22)29-9-8-25-16-29/h4-9,12,16,18H,10-11,13-15H2,1-3H3,(H-,24,31)/p+1