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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)C3=CC=CN3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)C3=CC=CN3)C

InChI

InChI=1S/C18H23N3O/c1-14-5-3-7-17(15(14)2)21-11-9-20(10-12-21)13-18(22)16-6-4-8-19-16/h3-8,19H,9-13H2,1-2H3/p+1