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

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-1-[(3-chloro-4-methoxy-phenyl)methyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-1-[(3-chloro-4-methoxyphenyl)methyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N-propyl-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-1-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N-propylpiperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-1-(3-chloro-4-methoxy-benzyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-propyl-piperazin-1-ium-1-carboxamide Formula: C26H34ClN8O3+ MolecularWeight: 542.05296

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCNC(=O)[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H33ClN8O3/c1-4-7-30-26(37)35(16-19-5-6-22(38-3)21(27)13-19)11-10-33(15-20(35)14-23(28)36)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