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

Systemtic Name: 2-[2-butyl-1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[2-butyl-1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[2-butyl-1-[(4-ethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[2-butyl-1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[2-butyl-1-(4-ethoxybenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C27H38N7O2+ MolecularWeight: 492.63632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CNCC[N+]1(CC2=CC=C(C=C2)OCC)C3=NC(=NC(=C3)C)N4C=CN=C4)CC(=O)N

Isomeric SMILES

CCCCC1(CNCC[N+]1(CC2=CC=C(C=C2)OCC)C3=NC(=NC(=C3)C)N4C=CN=C4)CC(=O)N

InChI

InChI=1S/C27H37N7O2/c1-4-6-11-27(17-24(28)35)19-29-13-15-34(27,18-22-7-9-23(10-8-22)36-5-2)25-16-21(3)31-26(32-25)33-14-12-30-20-33/h7-10,12,14,16,20,29H,4-6,11,13,15,17-19H2,1-3H3,(H-,28,35)/p+1