1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C19H24ClN2O+ MolecularWeight: 331.85966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H23ClN2O/c1-14-12-18(19(23)13-21-10-4-3-5-11-21)15(2)22(14)17-8-6-16(20)7-9-17/h6-9,12H,3-5,10-11,13H2,1-2H3/p+1