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

Systemtic Name: 2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-butyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C25H34N7O2+ MolecularWeight: 464.58316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N7O2/c1-3-4-12-30-14-15-32(21(17-30)16-23(26)33,18-20-5-7-22(34-2)8-6-20)24-9-10-28-25(29-24)31-13-11-27-19-31/h5-11,13,19,21H,3-4,12,14-18H2,1-2H3,(H-,26,33)/p+1