[1-(4-phenoxyphenyl)-1-propan-2-ylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(4-phenoxyphenyl)-1-propan-2-ylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-isopropylsulfonyl-1-(4-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(4-phenoxyphenyl)-1-propan-2-ylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(4-phenoxyphenyl)-1-propan-2-ylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-isopropylsulfonyl-1-(4-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H25N2O3S+ MolecularWeight: 385.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O3S/c1-17(2)27(24,25)23(14-6-7-18(15-22)16-23)19-10-12-21(13-11-19)26-20-8-4-3-5-9-20/h3-13,16-17H,14-15,22H2,1-2H3/q+1