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

Systemtic Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-indazolyl)propyl]-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-indazol-1-ylpropyl)-2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]acetamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C3=CC=CC=C3C=N2)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2/c31-24(26-13-7-16-30-22-12-5-4-11-21(22)19-28-30)18-23-25(32)27-14-17-29(23)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-12,19,23H,6-7,10,13-18H2,(H,26,31)(H,27,32)/p+1/t23-/m1/s1