2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-1-propyl-pyrrol-1-ium-2-yl]ethanoate

Systemtic Name: 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-1-propyl-pyrrol-1-ium-2-yl]ethanoate Openeye Name: 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1-propyl-pyrrol-1-ium-2-yl]acetate CAS Name: 2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-1-propyl-2-pyrrol-1-iumyl]acetate IUPAC Name: 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1-propylpyrrol-1-ium-2-yl]acetate Traditional Name: 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1-propyl-pyrrol-1-ium-2-yl]acetate Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3/c1-4-9-20(3)15(11-16(21)22)10-12(2)17(20)18(23)13-5-7-14(19)8-6-13/h5-8,10H,4,9,11H2,1-3H3