5-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-methyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-methyl-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-methyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]isatin Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C18H18N2O2S/c1-12-6-7-14-13(10-12)17(21)18(22)20(14)11-19-8-2-4-15(19)16-5-3-9-23-16/h3,5-7,9-10,15H,2,4,8,11H2,1H3/p+1/t15-/m1/s1