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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C=CC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c27-20(22-10-5-14-26-15-6-11-24-26)17-19-21(28)23-12-16-25(19)13-4-9-18-7-2-1-3-8-18/h1-3,6-8,11,15,19H,4-5,9-10,12-14,16-17H2,(H,22,27)(H,23,28)/p+1/t19-/m1/s1