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

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CC[NH+](CC3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)C[NH+]3CC[NH+](CC3)C)C)C

InChI

InChI=1S/C21H29N3O/c1-15-6-7-19(12-16(15)2)24-17(3)13-20(18(24)4)21(25)14-23-10-8-22(5)9-11-23/h6-7,12-13H,8-11,14H2,1-5H3/p+2