N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2S)-1-isobutyl-3-oxo-piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]acetamide CAS Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-1-isobutyl-3-keto-piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)CC3C(=O)NCC[NH+]3CC(C)C

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C[C@H]3C(=O)NCC[NH+]3CC(C)C

InChI

InChI=1S/C20H28N4O2/c1-13(2)12-24-7-6-21-20(26)18(24)10-19(25)22-11-15-4-5-17-16(9-15)8-14(3)23-17/h4-5,8-9,13,18,23H,6-7,10-12H2,1-3H3,(H,21,26)(H,22,25)/p+1/t18-/m0/s1