(2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-2,3-dihydroindole

Systemtic Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-2,3-dihydroindole Openeye Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-indoline CAS Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-2,3-dihydroindole IUPAC Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-2,3-dihydroindole Traditional Name: (2S)-1-(1,4-diazepan-4-ium-1-ylsulfonyl)-2-methyl-indoline Formula: C14H22N3O2S+ MolecularWeight: 296.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)N3CCC[NH2+]CC3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)N3CCC[NH2+]CC3

InChI

InChI=1S/C14H21N3O2S/c1-12-11-13-5-2-3-6-14(13)17(12)20(18,19)16-9-4-7-15-8-10-16/h2-3,5-6,12,15H,4,7-11H2,1H3/p+1/t12-/m0/s1