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

Systemtic Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(2S)-1-mesyl-2-methyl-indolin-5-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-16-13-19-14-18(3-4-20(19)25(16)29(2,27)28)21(26)24-11-9-23(10-12-24)15-17-5-7-22-8-6-17/h3-8,14,16H,9-13,15H2,1-2H3/p+1/t16-/m0/s1