2-(5-carbonochloridoyl-1-methyl-4-phenylmethoxy-1-propyl-pyrrol-1-ium-2-yl)ethanoate

Systemtic Name: 2-(5-carbonochloridoyl-1-methyl-4-phenylmethoxy-1-propyl-pyrrol-1-ium-2-yl)ethanoate Openeye Name: 2-(4-benzyloxy-5-chlorocarbonyl-1-methyl-1-propyl-pyrrol-1-ium-2-yl)acetate CAS Name: 2-(5-carbonochloridoyl-1-methyl-4-phenylmethoxy-1-propyl-2-pyrrol-1-iumyl)acetate IUPAC Name: 2-(5-carbonochloridoyl-1-methyl-4-phenylmethoxy-1-propylpyrrol-1-ium-2-yl)acetate Traditional Name: 2-(4-benzoxy-5-chlorocarbonyl-1-methyl-1-propyl-pyrrol-1-ium-2-yl)acetate Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=CC(=C1C(=O)Cl)OCC2=CC=CC=C2)CC(=O)[O-])C

Isomeric SMILES

CCC[N+]1(C(=CC(=C1C(=O)Cl)OCC2=CC=CC=C2)CC(=O)[O-])C

InChI

InChI=1S/C18H20ClNO4/c1-3-9-20(2)14(11-16(21)22)10-15(17(20)18(19)23)24-12-13-7-5-4-6-8-13/h4-8,10H,3,9,11-12H2,1-2H3