3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(3-chloranyl-4-methoxy-phenyl)ethyl]-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-[1-(3-chloro-4-methoxy-phenyl)ethyl]-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[1-(3-chloro-4-methoxyphenyl)ethyl]-N-cyclohexyl-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-[1-(3-chloro-4-methoxyphenyl)ethyl]-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-[1-(3-chloro-4-methoxy-phenyl)ethyl]-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-4-ium-1-carboxamide Formula: C29H38ClN8O3+ MolecularWeight: 582.11682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Cl)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Cl)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C29H37ClN8O3/c1-20(21-8-9-25(41-2)24(30)16-21)38(27-10-11-33-28(35-27)37-13-12-32-19-37)15-14-36(18-23(38)17-26(31)39)29(40)34-22-6-4-3-5-7-22/h8-13,16,19-20,22-23H,3-7,14-15,17-18H2,1-2H3,(H2-,31,34,39,40)/p+1