4-[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-2-one Openeye Name: 4-[(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl]-2-piperazin-4-iumone IUPAC Name: 4-[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]piperazin-4-ium-2-one Traditional Name: 4-[(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl]piperazin-4-ium-2-one Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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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+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)[C@H](C)[NH+]3CCNC(=O)C3

InChI

InChI=1S/C19H22ClN3O2/c1-12-10-17(13(2)23(12)16-6-4-15(20)5-7-16)19(25)14(3)22-9-8-21-18(24)11-22/h4-7,10,14H,8-9,11H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1