4-[2-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione

Systemtic Name: 4-[2-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Openeye Name: 4-[2-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione CAS Name: 4-[2-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]-1-cyclohexa-2,4-dienethione IUPAC Name: 4-[2-[4-[6-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Traditional Name: 4-[2-[4-[6-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Formula: C26H27N2O4S2+ MolecularWeight: 495.63358

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC4=CCC(=S)C=C4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC4=CCC(=S)C=C4

InChI

InChI=1S/C26H27N2O4S2/c1-2-34(29,30)28(18-6-5-7-21(28)19-27)20-10-12-22(13-11-20)31-25-8-3-4-9-26(25)32-23-14-16-24(33)17-15-23/h3-16H,2,17-19,27H2,1H3/q+1