5-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)indole-2,3-dione

Systemtic Name: 5-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)indole-2,3-dione Openeye Name: 5-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)indoline-2,3-dione CAS Name: 5-ethyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]indole-2,3-dione IUPAC Name: 5-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)indole-2,3-dione Traditional Name: 5-ethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)isatin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)CC[NH+]3CCCC3

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)CC[NH+]3CCCC3

InChI

InChI=1S/C16H20N2O2/c1-2-12-5-6-14-13(11-12)15(19)16(20)18(14)10-9-17-7-3-4-8-17/h5-6,11H,2-4,7-10H2,1H3/p+1