ethyl 4-butyl-3,7,8-trimethyl-1,6-dihydropyrrolo[3,2-f]indolizin-5-ium-2-carboxylate

Systemtic Name: ethyl 4-butyl-3,7,8-trimethyl-1,6-dihydropyrrolo[3,2-f]indolizin-5-ium-2-carboxylate Openeye Name: ethyl 4-butyl-3,7,8-trimethyl-1,6-dihydropyrrolo[3,2-f]indolizin-5-ium-2-carboxylate CAS Name: 4-butyl-3,7,8-trimethyl-1,6-dihydropyrrolo[3,2-f]indolizin-5-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-butyl-3,7,8-trimethyl-1,6-dihydropyrrolo[3,2-f]indolizin-5-ium-2-carboxylate Traditional Name: 4-butyl-3,7,8-trimethyl-1,6-dihydropyrrol[3,2-f]indolizin-5-ium-2-carboxylic acid ethyl ester Formula: C20H27N2O2+ MolecularWeight: 327.44058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(NC2=CC3=[N+]1CC(=C3C)C)C(=O)OCC)C

Isomeric SMILES

CCCCC1=C2C(=C(NC2=CC3=[N+]1CC(=C3C)C)C(=O)OCC)C

InChI

InChI=1S/C20H26N2O2/c1-6-8-9-16-18-14(5)19(20(23)24-7-2)21-15(18)10-17-13(4)12(3)11-22(16)17/h10H,6-9,11H2,1-5H3/p+1