2-ethyl-1-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]butan-1-one chloride

Systemtic Name: 2-ethyl-1-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]butan-1-one chloride Openeye Name: 2-ethyl-1-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]butan-1-one chloride CAS Name: 2-ethyl-1-[1-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolyl]-1-butanone chloride IUPAC Name: 2-ethyl-1-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]butan-1-one chloride Traditional Name: 2-ethyl-1-[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]butan-1-one chloride Formula: C16H27ClN2O2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=CC=CN1CC[NH+]2CCOCC2.[Cl-]

Isomeric SMILES

CCC(CC)C(=O)C1=CC=CN1CC[NH+]2CCOCC2.[Cl-]

InChI

InChI=1S/C16H26N2O2.ClH/c1-3-14(4-2)16(19)15-6-5-7-18(15)9-8-17-10-12-20-13-11-17;/h5-7,14H,3-4,8-13H2,1-2H3;1H