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

Systemtic Name: [1-ethylsulfonyl-1-[4-[4-(phenylmethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-benzylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[4-(phenylmethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-benzylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-benzylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C27H29N2O3S+ MolecularWeight: 461.59576

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

Isomeric SMILES

CCS(=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/C27H29N2O3S/c1-2-33(30,31)29(18-6-9-24(20-28)21-29)25-12-16-27(17-13-25)32-26-14-10-23(11-15-26)19-22-7-4-3-5-8-22/h3-17,21H,2,18-20,28H2,1H3/q+1