ethyl 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylic acid ethyl ester Formula: C19H33N2O3+ MolecularWeight: 337.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)CCC[NH+]2CCOCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)CCC[NH+]2CCOCC2)C

InChI

InChI=1S/C19H32N2O3/c1-6-24-18(22)16-14-17(19(3,4)5)21(15(16)2)9-7-8-20-10-12-23-13-11-20/h14H,6-13H2,1-5H3/p+1