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

Systemtic Name: [1-[4-(4-chloranylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-chlorophenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-chlorophenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-chlorophenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-chlorophenoxy)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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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