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

Systemtic Name: 1-(2-methylphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazine Openeye Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]piperazine IUPAC Name: 1-(2-methylphenyl)-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazine Traditional Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-4-(o-tolyl)piperazine Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H29N5O2S/c1-18-5-3-4-6-20(18)24-11-13-25(14-12-24)21-8-7-19(17-22-21)29(27,28)26-15-9-23(2)10-16-26/h3-8,17H,9-16H2,1-2H3/p+1