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

Systemtic Name: 4-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]piperazin-4-ium-2-one Formula: C15H18N3O2+ MolecularWeight: 272.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H17N3O2/c1-10(18-7-6-16-14(19)9-18)15(20)12-8-17-13-5-3-2-4-11(12)13/h2-5,8,10,17H,6-7,9H2,1H3,(H,16,19)/p+1/t10-/m1/s1