N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide CAS Name: N-[3-(1-indazolyl)propyl]-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(3-indazol-1-ylpropyl)acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CC4=CC=CC=C4

InChI

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