3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-N-propyl-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-propyl-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-propyl-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-propyl-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-propylpiperazin-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-propyl-piperazin-4-ium-1-carboxamide Formula: C25H31Cl2N8O3+ MolecularWeight: 562.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC(=C(C=C2)OC)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C25H30Cl2N8O3/c1-3-6-30-25(37)33-9-10-35(18(14-33)12-22(28)36,15-17-4-5-20(38-2)19(26)11-17)23-13-21(27)31-24(32-23)34-8-7-29-16-34/h4-5,7-8,11,13,16,18H,3,6,9-10,12,14-15H2,1-2H3,(H2-,28,30,36,37)/p+1