[1-methylsulfonyl-1-[4-[4-(phenylmethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-methylsulfonyl-1-[4-[4-(phenylmethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-benzylphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-methylsulfonyl-1-[4-[4-(phenylmethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-benzylphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-benzylphenoxy)phenyl]-1-mesyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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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=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N2O3S/c1-32(29,30)28(17-5-8-23(19-27)20-28)24-11-15-26(16-12-24)31-25-13-9-22(10-14-25)18-21-6-3-2-4-7-21/h2-16,20H,17-19,27H2,1H3/q+1