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

Systemtic Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]methanone CAS Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(2S)-1-mesyl-2-methyl-indolin-5-yl]methanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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=C4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-17-14-20-15-19(8-9-21(20)25(17)29(2,27)28)22(26)24-12-10-23(11-13-24)16-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3/p+1/t17-/m0/s1