3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(3,4-dichlorophenyl)-4-[1-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(3,4-dichlorophenyl)-4-[1-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(3,4-dichlorophenyl)-4-[1-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-(3,4-dichlorophenyl)-4-[1-(4-methylphenoxy)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-(3,4-dichlorophenyl)-4-[1-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(3,4-dichlorophenyl)-4-[1-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carboxamide Formula: C29H30Cl3N8O3+ MolecularWeight: 644.9593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C29H29Cl3N8O3/c1-18-3-6-22(7-4-18)43-19(2)40(27-15-25(32)36-28(37-27)39-10-9-34-17-39)12-11-38(16-21(40)14-26(33)41)29(42)35-20-5-8-23(30)24(31)13-20/h3-10,13,15,17,19,21H,11-12,14,16H2,1-2H3,(H2-,33,35,41,42)/p+1