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

Systemtic Name: [1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H24ClN2O3S+ MolecularWeight: 419.94486

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=C(C=C(C(=C2)C)OC3=CC=CC=C3)Cl

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=C(C=C(C(=C2)C)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN2O3S/c1-3-28(25,26)24(11-7-8-17(14-23)15-24)20-12-16(2)21(13-19(20)22)27-18-9-5-4-6-10-18/h4-10,12-13,15H,3,11,14,23H2,1-2H3/q+1