2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1,1-bis[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1,1-bis[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1,1-bis(p-anisyl)piperazin-1-ium-2-yl]acetamide Formula: C30H36N7O3+ MolecularWeight: 542.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C30H35N7O3/c1-22-16-29(34-30(33-22)36-13-12-32-21-36)35-14-15-37(25(18-35)17-28(31)38,19-23-4-8-26(39-2)9-5-23)20-24-6-10-27(40-3)11-7-24/h4-13,16,21,25H,14-15,17-20H2,1-3H3,(H-,31,38)/p+1