2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-butyl-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C26H36N7O2+ MolecularWeight: 478.60974

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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)C)N4C=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O2/c1-4-5-11-31-13-14-33(22(17-31)16-24(27)34,18-21-6-8-23(35-3)9-7-21)25-15-20(2)29-26(30-25)32-12-10-28-19-32/h6-10,12,15,19,22H,4-5,11,13-14,16-18H2,1-3H3,(H-,27,34)/p+1