ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylic acid ethyl ester Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-4-21-16(19)15-12-13(2)18(14(15)3)7-5-6-17-8-10-20-11-9-17/h12H,4-11H2,1-3H3/p+1