3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-cyclohexyl-4-[1-(2-methoxyphenyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-cyclohexyl-4-[1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C29H38ClN8O3+ MolecularWeight: 582.11682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(C1=CC=CC=C1OC)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3CCCCC3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C29H37ClN8O3/c1-20(23-10-6-7-11-24(23)41-2)38(27-17-25(30)34-28(35-27)37-13-12-32-19-37)15-14-36(18-22(38)16-26(31)39)29(40)33-21-8-4-3-5-9-21/h6-7,10-13,17,19-22H,3-5,8-9,14-16,18H2,1-2H3,(H2-,31,33,39,40)/p+1