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

Systemtic Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [(2S)-1-mesyl-2-methyl-indolin-5-yl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H24N4O3S/c1-15-13-17-14-16(3-4-19(17)24(15)28(2,26)27)20(25)23-11-9-22(10-12-23)18-5-7-21-8-6-18/h3-8,14-15H,9-13H2,1-2H3/p+1/t15-/m0/s1