N1-cyclohexyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1,2-dicarboxamide

Systemtic Name: N1-cyclohexyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1,2-dicarboxamide Openeye Name: N1-cyclohexyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1,2-dicarboxamide CAS Name: N1-cyclohexyl-1-[3-(1-imidazolyl)propyl]piperazin-1-ium-1,2-dicarboxamide IUPAC Name: 1-N-cyclohexyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1,2-dicarboxamide Traditional Name: N-cyclohexyl-1-(3-imidazol-1-ylpropyl)piperazin-1-ium-1,2-dicarboxamide Formula: C18H31N6O2+ MolecularWeight: 363.47774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)[N+]2(CCNCC2C(=O)N)CCCN3C=CN=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)[N+]2(CCNCC2C(=O)N)CCCN3C=CN=C3

InChI

InChI=1S/C18H30N6O2/c19-17(25)16-13-20-8-12-24(16,11-4-9-23-10-7-21-14-23)18(26)22-15-5-2-1-3-6-15/h7,10,14-16,20H,1-6,8-9,11-13H2,(H2-,19,22,25,26)/p+1