ethyl 4-decyl-2,5,5-trimethyl-1-oxidanidyl-pyrrol-1-ium-3-carboxylate

Systemtic Name: ethyl 4-decyl-2,5,5-trimethyl-1-oxidanidyl-pyrrol-1-ium-3-carboxylate Openeye Name: ethyl 4-decyl-2,5,5-trimethyl-1-oxido-pyrrol-1-ium-3-carboxylate CAS Name: 4-decyl-2,5,5-trimethyl-1-oxido-3-pyrrol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-decyl-2,5,5-trimethyl-1-oxidopyrrol-1-ium-3-carboxylate Traditional Name: 4-decyl-2,5,5-trimethyl-1-oxido-pyrrol-1-ium-3-carboxylic acid ethyl ester Formula: C20H35NO3 MolecularWeight: 337.4968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=[N+](C1(C)C)[O-])C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=[N+](C1(C)C)[O-])C)C(=O)OCC

InChI

InChI=1S/C20H35NO3/c1-6-8-9-10-11-12-13-14-15-17-18(19(22)24-7-2)16(3)21(23)20(17,4)5/h6-15H2,1-5H3