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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCNC(=O)C1CC(=O)NCCCN2C3=CC=CC=C3C=N2)C

Isomeric SMILES

CC(=CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCCCN2C3=CC=CC=C3C=N2)C

InChI

InChI=1S/C21H29N5O2/c1-16(2)8-12-25-13-10-23-21(28)19(25)14-20(27)22-9-5-11-26-18-7-4-3-6-17(18)15-24-26/h3-4,6-8,15,19H,5,9-14H2,1-2H3,(H,22,27)(H,23,28)/p+1/t19-/m1/s1