1-methyl-4-[6-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-[6-(4-benzyl-1-piperidyl)pyridin-1-ium-3-yl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[[6-[4-(phenylmethyl)-1-piperidinyl]-3-pyridin-1-iumyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-[6-(4-benzylpiperidin-1-yl)pyridin-1-ium-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[6-(4-benzylpiperidino)pyridin-1-ium-3-yl]sulfonyl-4-methyl-piperazin-4-ium Formula: C22H32N4O2S+2 MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2S/c1-24-13-15-26(16-14-24)29(27,28)21-7-8-22(23-18-21)25-11-9-20(10-12-25)17-19-5-3-2-4-6-19/h2-8,18,20H,9-17H2,1H3/p+2