2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)C

InChI

InChI=1S/C22H31N3O/c1-6-25-17(3)14-20(19(25)5)22(26)15-23-10-12-24(13-11-23)21-9-7-8-16(2)18(21)4/h7-9,14H,6,10-13,15H2,1-5H3/p+1