[1-ethylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-[4-(4-benzyloxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-[4-(4-benzoxyphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-6-yl]methylamine Formula: C27H29N2O4S+ MolecularWeight: 477.59516

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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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N2O4S/c1-2-34(30,31)29(19-7-6-10-24(29)20-28)23-11-13-26(14-12-23)33-27-17-15-25(16-18-27)32-21-22-8-4-3-5-9-22/h3-18H,2,19-21,28H2,1H3/q+1