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

Systemtic Name: [1-ethylsulfonyl-1-(2-methyl-4-phenoxy-phenyl)-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(2-methyl-4-phenoxy-phenyl)-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-(2-methyl-4-phenoxyphenyl)-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-(2-methyl-4-phenoxyphenyl)-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-esyl-1-(2-methyl-4-phenoxy-phenyl)-2H-pyridin-1-ium-6-yl]methylamine Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O3S/c1-3-27(24,25)23(14-8-7-9-18(23)16-22)21-13-12-20(15-17(21)2)26-19-10-5-4-6-11-19/h4-13,15H,3,14,16,22H2,1-2H3/q+1