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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)ethanone Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-15-21(17(3)26)16(2)23-22(15)20(27)14-25-11-9-24(10-12-25)13-18-5-7-19(28-4)8-6-18/h5-8,23H,9-14H2,1-4H3/p+2