3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-chlorophenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-chlorobenzyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C27H27Cl2N8O2+ MolecularWeight: 566.46168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1C(=O)NC2=CC=CC=C2)CC(=O)N)(CC3=CC=C(C=C3)Cl)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

C1C[N+](C(CN1C(=O)NC2=CC=CC=C2)CC(=O)N)(CC3=CC=C(C=C3)Cl)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C27H26Cl2N8O2/c28-20-8-6-19(7-9-20)17-37(25-15-23(29)33-26(34-25)36-11-10-31-18-36)13-12-35(16-22(37)14-24(30)38)27(39)32-21-4-2-1-3-5-21/h1-11,15,18,22H,12-14,16-17H2,(H2-,30,32,38,39)/p+1