3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(indan-5-ylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(indan-5-ylmethyl)-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C32H37N8O3+ MolecularWeight: 581.68798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=C(C=C4)OC)CC5=CC6=C(CCC6)C=C5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)NC4=CC=C(C=C4)OC)CC5=CC6=C(CCC6)C=C5

InChI

InChI=1S/C32H36N8O3/c1-22-16-30(37-31(35-22)39-13-12-34-21-39)40(20-23-6-7-24-4-3-5-25(24)17-23)15-14-38(19-27(40)18-29(33)41)32(42)36-26-8-10-28(43-2)11-9-26/h6-13,16-17,21,27H,3-5,14-15,18-20H2,1-2H3,(H2-,33,36,41,42)/p+1