2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-4-piperonyl-piperazin-1-ium-1-yl]acetamide Formula: C28H34N7O4+ MolecularWeight: 532.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)[N+]3(CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC(=O)N

Isomeric SMILES

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)[N+]3(CCN(CC3)CC4=CC5=C(C=C4)OCO5)CC(=O)N

InChI

InChI=1S/C28H33N7O4/c1-20(36)30-9-10-31-26-16-27(33-28(32-26)22-5-3-2-4-6-22)35(18-25(29)37)13-11-34(12-14-35)17-21-7-8-23-24(15-21)39-19-38-23/h2-8,15-16H,9-14,17-19H2,1H3,(H3-,29,30,31,32,33,36,37)/p+1