[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(2S)-1-mesyl-2-methyl-indolin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H23N3O3S/c1-12-10-14-11-13(4-5-15(14)19(12)23(3,21)22)16(20)18-8-6-17(2)7-9-18/h4-5,11-12H,6-10H2,1-3H3/p+1/t12-/m0/s1