(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)propan-1-one CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-propanone IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)propan-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-15-14-20(16(2)24(15)19-8-6-5-7-9-19)21(26)17(3)22-10-12-23(13-11-22)18(4)25/h5-9,14,17H,10-13H2,1-4H3/p+1/t17-/m0/s1