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

Systemtic Name: [1-(2-methyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-methyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-methyl-4-phenoxyphenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-methyl-4-phenoxyphenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-methyl-4-phenoxy-phenyl)-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O3S/c1-3-14-28(25,26)24(13-7-8-19(16-23)17-24)22-12-11-21(15-18(22)2)27-20-9-5-4-6-10-20/h4-12,15,17H,3,13-14,16,23H2,1-2H3/q+1