1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-2-yl]-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-pyridyl]-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridinyl]-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-2-yl]-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-[5-(4-benzylpiperidino)sulfonyl-2-pyridyl]-4-(3-thenyl)piperazin-4-ium Formula: C26H33N4O2S2+ MolecularWeight: 497.69582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)N4CC[NH+](CC4)CC5=CSC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)N4CC[NH+](CC4)CC5=CSC=C5

InChI

InChI=1S/C26H32N4O2S2/c31-34(32,30-11-8-23(9-12-30)18-22-4-2-1-3-5-22)25-6-7-26(27-19-25)29-15-13-28(14-16-29)20-24-10-17-33-21-24/h1-7,10,17,19,21,23H,8-9,11-16,18,20H2/p+1