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

Systemtic Name: (2R)-N1-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]-4-(phenylmethyl)piperazin-1-ium-1,2-dicarboxamide Openeye Name: (2R)-4-benzyl-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]-4-(phenylmethyl)piperazin-1-ium-1,2-dicarboxamide IUPAC Name: (2R)-4-benzyl-1-N-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide Traditional Name: (2R)-4-benzyl-N-cyclohexyl-1-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-1-ium-1,2-dicarboxamide Formula: C32H43N6O2+ MolecularWeight: 543.72282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)[N+]2(CCN(CC2C(=O)N)CC3=CC=CC=C3)CCC4=CN=CN4CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)[N+]2(CCN(C[C@@H]2C(=O)N)CC3=CC=CC=C3)CCC4=CN=CN4CCC5=CC=CC=C5

InChI

InChI=1S/C32H42N6O2/c33-31(39)30-24-36(23-27-12-6-2-7-13-27)19-21-38(30,32(40)35-28-14-8-3-9-15-28)20-17-29-22-34-25-37(29)18-16-26-10-4-1-5-11-26/h1-2,4-7,10-13,22,25,28,30H,3,8-9,14-21,23-24H2,(H2-,33,35,39,40)/p+1/t30-,38?/m1/s1