3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-indan-2-yl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-cyclohexyl-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-indan-2-yl-piperazin-4-ium-1-carboxamide Formula: C29H36ClN8O2+ MolecularWeight: 564.10154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(C3CC4=CC=CC=C4C3)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CC[N+](C(C2)CC(=O)N)(C3CC4=CC=CC=C4C3)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C29H35ClN8O2/c30-25-17-27(35-28(34-25)37-11-10-32-19-37)38(23-14-20-6-4-5-7-21(20)15-23)13-12-36(18-24(38)16-26(31)39)29(40)33-22-8-2-1-3-9-22/h4-7,10-11,17,19,22-24H,1-3,8-9,12-16,18H2,(H2-,31,33,39,40)/p+1