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

Systemtic Name: 4-[2-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Openeye Name: 4-[2-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione CAS Name: 4-[2-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]-1-cyclohexa-2,4-dienethione IUPAC Name: 4-[2-[4-[5-(aminomethyl)-1-methylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Traditional Name: 4-[2-[4-[5-(aminomethyl)-1-mesyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]cyclohexa-2,4-diene-1-thione Formula: C25H25N2O4S2+ MolecularWeight: 481.607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N2O4S2/c1-33(28,29)27(16-4-5-19(17-26)18-27)20-8-10-21(11-9-20)30-24-6-2-3-7-25(24)31-22-12-14-23(32)15-13-22/h2-14,18H,15-17,26H2,1H3/q+1