(2S)-1-(2,3-dihydroindol-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: (2S)-1-indolin-1-yl-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: (2S)-1-indolin-1-yl-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C16H23N3O3S/c1-13(12-23(21,22)18-10-7-17-8-11-18)16(20)19-9-6-14-4-2-3-5-15(14)19/h2-5,13,17H,6-12H2,1H3/p+1/t13-/m1/s1