5-(1-methoxy-2-phenethyl-pyrrolidin-1-ium-1-yl)sulfonyl-1H-indole-2,3-dione

Systemtic Name: 5-(1-methoxy-2-phenethyl-pyrrolidin-1-ium-1-yl)sulfonyl-1H-indole-2,3-dione Openeye Name: 5-(1-methoxy-2-phenethyl-pyrrolidin-1-ium-1-yl)sulfonylindoline-2,3-dione CAS Name: 5-[(1-methoxy-2-phenethyl-1-pyrrolidin-1-iumyl)sulfonyl]-1H-indole-2,3-dione IUPAC Name: 5-(1-methoxy-2-phenethylpyrrolidin-1-ium-1-yl)sulfonyl-1H-indole-2,3-dione Traditional Name: 5-(1-methoxy-2-phenethyl-pyrrolidin-1-ium-1-yl)sulfonylisatin Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1(CCCC1CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4=O

Isomeric SMILES

CO[N+]1(CCCC1CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4=O

InChI

InChI=1S/C21H22N2O5S/c1-28-23(13-5-8-16(23)10-9-15-6-3-2-4-7-15)29(26,27)17-11-12-19-18(14-17)20(24)21(25)22-19/h2-4,6-7,11-12,14,16H,5,8-10,13H2,1H3/p+1