4-[2-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione

Systemtic Name: 4-[2-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Openeye Name: 4-[2-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione CAS Name: 4-[2-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]-1-cyclohexa-2,4-dienethione IUPAC Name: 4-[2-[4-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Traditional Name: 4-[2-[4-[5-(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(=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC4=CCC(=S)C=C4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC4=CCC(=S)C=C4

InChI

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