4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-4-ium-2-one Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H19N3O2/c1-10-15(12-5-3-4-6-13(12)18-10)16(21)11(2)19-8-7-17-14(20)9-19/h3-6,11,18H,7-9H2,1-2H3,(H,17,20)/p+1/t11-/m0/s1