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

Systemtic Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-indazolyl)propyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c30-23(25-12-6-14-29-21-10-5-4-9-20(21)18-27-29)17-22-24(31)26-13-16-28(22)15-11-19-7-2-1-3-8-19/h1-5,7-10,18,22H,6,11-17H2,(H,25,30)(H,26,31)/p+1/t22-/m1/s1