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

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

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

Isomeric SMILES

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

InChI

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