N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-indolyl)propyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-indol-1-ylpropyl)-2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCCN3C=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O2/c1-19-7-2-3-9-21(19)18-29-16-13-27-25(31)23(29)17-24(30)26-12-6-14-28-15-11-20-8-4-5-10-22(20)28/h2-5,7-11,15,23H,6,12-14,16-18H2,1H3,(H,26,30)(H,27,31)/p+1/t23-/m1/s1