1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C23H33N5O+2 MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C23H31N5O/c1-19-6-5-7-21(20(19)2)26-14-16-28(17-15-26)23(29)18-25-10-12-27(13-11-25)22-8-3-4-9-24-22/h3-9H,10-18H2,1-2H3/p+2