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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)NCCCN3C4=CC=CC=C4C=N3

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCN3C4=CC=CC=C4C=N3

InChI

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