4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]piperazin-4-ium-2-one Formula: C15H20N3O2+ MolecularWeight: 274.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H19N3O2/c1-11-8-12-4-2-3-5-13(12)18(11)15(20)10-17-7-6-16-14(19)9-17/h2-5,11H,6-10H2,1H3,(H,16,19)/p+1/t11-/m0/s1