[1-(3-chloranyl-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-(3-chloranyl-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-(3-chloro-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-(3-chloro-4-phenoxyphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-(3-chloro-4-phenoxyphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-(3-chloro-4-phenoxy-phenyl)-1-esyl-2H-pyridin-1-ium-6-yl]methylamine Formula: C20H22ClN2O3S+ MolecularWeight: 405.91828

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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=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN2O3S/c1-2-27(24,25)23(13-7-6-8-17(23)15-22)16-11-12-20(19(21)14-16)26-18-9-4-3-5-10-18/h3-12,14H,2,13,15,22H2,1H3/q+1