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

Systemtic Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-indolyl)propyl]-2-[(2R)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-indol-1-ylpropyl)-2-[(2R)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCNC(=O)C1CC(=O)NCCCN2C=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C[NH+]1CCNC(=O)[C@H]1CC(=O)NCCCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H30N4O2/c1-16(2)15-25-13-10-23-21(27)19(25)14-20(26)22-9-5-11-24-12-8-17-6-3-4-7-18(17)24/h3-4,6-8,12,16,19H,5,9-11,13-15H2,1-2H3,(H,22,26)(H,23,27)/p+1/t19-/m1/s1