N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]acetamide Formula: C22H33N5O2+2 MolecularWeight: 399.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCCNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C=CN1)CCCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2/c1-18-23-11-15-26(18)14-6-10-24-21(28)17-20-22(29)25-12-16-27(20)13-5-9-19-7-3-2-4-8-19/h2-4,7-8,11,15,20H,5-6,9-10,12-14,16-17H2,1H3,(H2,24,25,28,29)/p+2/t20-/m1/s1