1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]ethanone Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C22H29N3O2/c1-15-6-5-7-19(12-15)13-24-8-10-25(11-9-24)14-20(27)22-16(2)21(18(4)26)17(3)23-22/h5-7,12,23H,8-11,13-14H2,1-4H3/p+2