1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-benzylsulfonyl-piperazin-1-ium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-benzylsulfonylpiperazin-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-benzylsulfonyl-piperazin-1-ium Formula: C23H33N3O2S+2 MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O2S/c27-29(28,20-22-9-5-2-6-10-22)26-17-15-25(16-18-26)23-11-13-24(14-12-23)19-21-7-3-1-4-8-21/h1-10,23H,11-20H2/p+2