(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)propan-1-one Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-14-19(17(4)26)15(2)23-20(14)21(27)16(3)24-10-12-25(13-11-24)22(28)18-8-6-5-7-9-18/h5-9,16,23H,10-13H2,1-4H3/p+1/t16-/m0/s1