N-[(5-chloranyl-1H-indol-2-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(5-chloranyl-1H-indol-2-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(5-chloro-1H-indol-2-yl)methyl]-2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(5-chloro-1H-indol-2-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-chloro-1H-indol-2-yl)methyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(5-chloro-1H-indol-2-yl)methyl]-2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C20H28ClN4O2+ MolecularWeight: 391.91492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C20H27ClN4O2/c1-13(2)5-7-25-8-6-22-20(27)18(25)11-19(26)23-12-16-10-14-9-15(21)3-4-17(14)24-16/h3-4,9-10,13,18,24H,5-8,11-12H2,1-2H3,(H,22,27)(H,23,26)/p+1/t18-/m1/s1