1-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone

Systemtic Name: 1-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C20H28BrN3O+2 MolecularWeight: 406.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN3O/c1-14-11-17(5-6-19(14)21)24-15(2)12-18(16(24)3)20(25)13-23-9-7-22(4)8-10-23/h5-6,11-12H,7-10,13H2,1-4H3/p+2