1-(2-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]piperazine Formula: C21H31N5O3S+2 MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H29N5O3S/c1-23-9-15-26(16-10-23)30(27,28)18-7-8-21(22-17-18)25-13-11-24(12-14-25)19-5-3-4-6-20(19)29-2/h3-8,17H,9-16H2,1-2H3/p+2