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

Systemtic Name: ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate chloride Openeye Name: ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate chloride CAS Name: 2,5-dimethyl-1-[3-(4-morpholin-4-iumyl)propyl]-3-pyrrolecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylate chloride Traditional Name: 2,5-dimethyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrole-3-carboxylic acid ethyl ester chloride Formula: C16H27ClN2O3 MolecularWeight: 330.85018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3.ClH/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;1H