3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-4-(2-imidazol-1-ylpyrimidin-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-ylpyrimidin-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-ylpyrimidin-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)-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-ylpyrimidin-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-ylpyrimidin-4-yl)-N-propyl-piperazin-4-ium-1-carboxamide Formula: C26H34ClN8O3+ MolecularWeight: 542.05296

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H33ClN8O3/c1-4-8-31-26(37)33-12-13-35(20(16-33)15-23(28)36,18(2)19-5-6-22(38-3)21(27)14-19)24-7-9-30-25(32-24)34-11-10-29-17-34/h5-7,9-11,14,17-18,20H,4,8,12-13,15-16H2,1-3H3,(H2-,28,31,36,37)/p+1