2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-homoveratryl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C30H35N8O4+ MolecularWeight: 571.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CCC4=CC(=C(C=C4)OC)OC)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CCC4=CC(=C(C=C4)OC)OC)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H34N8O4/c1-21-15-28(35-30(34-21)37-11-10-33-20-37)36-12-14-38(24(19-36)17-27(31)39,29(40)23-5-4-9-32-18-23)13-8-22-6-7-25(41-2)26(16-22)42-3/h4-7,9-11,15-16,18,20,24H,8,12-14,17,19H2,1-3H3,(H-,31,39)/p+1