1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methyl-1-piperazine-1,4-diiumyl)-1-propanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-3-(4-methylpiperazine-1,4-diium-1-yl)propan-1-one Formula: C17H27N3O+2 MolecularWeight: 289.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CC[NH+]3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CC[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H25N3O/c1-14-13-15-5-3-4-6-16(15)20(14)17(21)7-8-19-11-9-18(2)10-12-19/h3-6,14H,7-13H2,1-2H3/p+2/t14-/m0/s1