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

Systemtic Name: 2-[4-ethanoyl-1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[(4-ethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-[(4-ethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(4-ethoxybenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C25H32N7O3+ MolecularWeight: 478.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C)C3=NC(=NC(=C3)C)N4C=CN=C4

InChI

InChI=1S/C25H31N7O3/c1-4-35-22-7-5-20(6-8-22)16-32(12-11-30(19(3)33)15-21(32)14-23(26)34)24-13-18(2)28-25(29-24)31-10-9-27-17-31/h5-10,13,17,21H,4,11-12,14-16H2,1-3H3,(H-,26,34)/p+1