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

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-ethyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethylpiperazine-1,4-diium-1-yl)ethanone Formula: C22H33N3O+2 MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)C)C)C

InChI

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