(2R)-N1-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide

Systemtic Name: (2R)-N1-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide Openeye Name: (2R)-N1-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide CAS Name: (2R)-N1-cyclohexyl-1-[2-(3-phenethyl-4-imidazolyl)ethyl]piperazin-1-ium-1,2-dicarboxamide IUPAC Name: (2R)-1-N-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide Traditional Name: (2R)-N-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide Formula: C25H37N6O2+ MolecularWeight: 453.60028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)[N+]2(CCNCC2C(=O)N)CCC3=CN=CN3CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)[N+]2(CCNC[C@@H]2C(=O)N)CCC3=CN=CN3CCC4=CC=CC=C4

InChI

InChI=1S/C25H36N6O2/c26-24(32)23-18-27-13-16-31(23,25(33)29-21-9-5-2-6-10-21)15-12-22-17-28-19-30(22)14-11-20-7-3-1-4-8-20/h1,3-4,7-8,17,19,21,23,27H,2,5-6,9-16,18H2,(H2-,26,29,32,33)/p+1/t23-,31?/m1/s1