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

Systemtic Name: N-(3-indol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-indol-1-ylpropyl)-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-indolyl)propyl]-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-indol-1-ylpropyl)-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-indol-1-ylpropyl)-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C=CC3=CC=CC=C32)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C=CC3=CC=CC=C32)CC4=CN=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-22(25-10-4-12-27-13-8-19-6-1-2-7-20(19)27)15-21-23(30)26-11-14-28(21)17-18-5-3-9-24-16-18/h1-3,5-9,13,16,21H,4,10-12,14-15,17H2,(H,25,29)(H,26,30)/p+1/t21-/m1/s1