[1-(3-chloranyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(3-chloranyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(3-chloro-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(3-chloro-4-phenoxyphenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(3-chloro-4-phenoxyphenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(3-chloro-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H24ClN2O3S+ MolecularWeight: 419.94486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN2O3S/c1-2-13-28(25,26)24(12-6-7-17(15-23)16-24)18-10-11-21(20(22)14-18)27-19-8-4-3-5-9-19/h3-11,14,16H,2,12-13,15,23H2,1H3/q+1