1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Formula: C19H25BrN3O+ MolecularWeight: 391.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O/c1-14-12-18(19(24)13-22-10-8-21(3)9-11-22)15(2)23(14)17-6-4-16(20)5-7-17/h4-7,12H,8-11,13H2,1-3H3/p+1