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

Systemtic Name: 2-[4-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C26H36N7O3+ MolecularWeight: 494.60914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CCCCN1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)OC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C26H35N7O3/c1-4-5-11-31-13-14-33(21(17-31)16-24(27)34,18-20-6-7-22(35-2)23(15-20)36-3)25-8-9-29-26(30-25)32-12-10-28-19-32/h6-10,12,15,19,21H,4-5,11,13-14,16-18H2,1-3H3,(H-,27,34)/p+1