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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CCS(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CCS(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O3S/c1-13-12-14-4-2-3-5-15(14)19(13)16(20)6-11-23(21,22)18-9-7-17-8-10-18/h2-5,13,17H,6-12H2,1H3/p+1/t13-/m0/s1