1-[(E)-2-phenylethenyl]sulfonyl-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]-4-[(E)-styryl]sulfonyl-piperazine CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(5-piperidinosulfonylpyridin-1-ium-2-yl)-4-[(E)-styryl]sulfonyl-piperazine Formula: C22H29N4O4S2+ MolecularWeight: 477.62006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S2/c27-31(28,18-11-20-7-3-1-4-8-20)25-16-14-24(15-17-25)22-10-9-21(19-23-22)32(29,30)26-12-5-2-6-13-26/h1,3-4,7-11,18-19H,2,5-6,12-17H2/p+1/b18-11+