3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3-chloranyl-4-methoxy-phenyl)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-[(3-chloranyl-4-methoxy-phenyl)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-[(3-chloro-4-methoxy-phenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(3-chloro-4-methoxyphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(3-chloro-4-methoxyphenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-(3-chloro-4-methoxy-benzyl)-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C28H29Cl2N8O3+ MolecularWeight: 596.48766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl)Cl

InChI

InChI=1S/C28H28Cl2N8O3/c1-41-23-8-7-19(13-22(23)29)17-38(26-15-24(30)34-27(35-26)37-10-9-32-18-37)12-11-36(16-21(38)14-25(31)39)28(40)33-20-5-3-2-4-6-20/h2-10,13,15,18,21H,11-12,14,16-17H2,1H3,(H2-,31,33,39,40)/p+1