3-(2-azanyl-2-oxidanylidene-ethyl)-4-[(3-chloranyl-4-methoxy-phenyl)methyl]-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-[(3-chloranyl-4-methoxy-phenyl)methyl]-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-[(3-chloro-4-methoxy-phenyl)methyl]-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-[(3-chloro-4-methoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(3-chloro-4-methoxy-benzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-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)(CC2=CC(=C(C=C2)OC)Cl)C3=NC(=NC(=C3)C)N4C=CN=C4

Isomeric SMILES

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

InChI

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