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

Systemtic Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)-3-pyrrolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C25H31N3O+2 MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N3O/c1-19-17-24(25(29)18-27-15-13-26(3)14-16-27)20(2)28(19)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-12,17H,13-16,18H2,1-3H3/p+2