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

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C22H29N3O2/c1-14-8-6-7-9-19(14)25-12-10-24(11-13-25)17(4)22(27)21-15(2)20(18(5)26)16(3)23-21/h6-9,17,23H,10-13H2,1-5H3/p+1/t17-/m0/s1