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

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-p-anisylpiperazine-1,4-diium-1-yl)ethanone Formula: C22H33N3O2+2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H31N3O2/c1-5-25-17(2)14-21(18(25)3)22(26)16-24-12-10-23(11-13-24)15-19-6-8-20(27-4)9-7-19/h6-9,14H,5,10-13,15-16H2,1-4H3/p+2