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

Systemtic Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-indolyl)propyl]-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-indol-1-ylpropyl)-2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCN3C=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O3/c1-32-21-8-4-6-19(16-21)18-29-15-12-27-25(31)23(29)17-24(30)26-11-5-13-28-14-10-20-7-2-3-9-22(20)28/h2-4,6-10,14,16,23H,5,11-13,15,17-18H2,1H3,(H,26,30)(H,27,31)/p+1/t23-/m1/s1