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

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[1-(3-chloro-4-methoxy-phenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[1-(3-chloro-4-methoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[1-(3-chloro-4-methoxyphenyl)ethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-[1-(3-chloro-4-methoxy-phenyl)ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C27H36ClN8O3+ MolecularWeight: 556.07954

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC(=C2)C)N3C=CN=C3)C(C)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2=NC(=NC(=C2)C)N3C=CN=C3)C(C)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C27H35ClN8O3/c1-5-8-31-27(38)34-11-12-36(21(16-34)15-24(29)37,19(3)20-6-7-23(39-4)22(28)14-20)25-13-18(2)32-26(33-25)35-10-9-30-17-35/h6-7,9-10,13-14,17,19,21H,5,8,11-12,15-16H2,1-4H3,(H2-,29,31,37,38)/p+1