[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [(2R)-2-methyl-1-methylsulfonyl-indolin-5-yl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [(2R)-1-mesyl-2-methyl-indolin-5-yl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C23H29N3O3S/c1-17-6-4-5-7-20(17)16-24-10-12-25(13-11-24)23(27)19-8-9-22-21(15-19)14-18(2)26(22)30(3,28)29/h4-9,15,18H,10-14,16H2,1-3H3/p+1/t18-/m1/s1