1-[(2R)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)[NH+]3CCC(CC3)C(=O)NC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)[C@@H](C)[NH+]3CCC(CC3)C(=O)NC

InChI

InChI=1S/C22H28ClN3O2/c1-14-13-20(15(2)26(14)19-7-5-18(23)6-8-19)21(27)16(3)25-11-9-17(10-12-25)22(28)24-4/h5-8,13,16-17H,9-12H2,1-4H3,(H,24,28)/p+1/t16-/m1/s1