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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[(4-chlorophenyl)methyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(4-chlorophenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-chlorobenzyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C27H28ClN8O2+ MolecularWeight: 532.01662

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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=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN8O2/c28-21-8-6-20(7-9-21)18-36(25-10-11-31-26(33-25)35-13-12-30-19-35)15-14-34(17-23(36)16-24(29)37)27(38)32-22-4-2-1-3-5-22/h1-13,19,23H,14-18H2,(H2-,29,32,37,38)/p+1