[1-ethylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(2-isopropoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-isopropoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C23H29N2O4S+ MolecularWeight: 429.55236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC(C)C

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC(C)C

InChI

InChI=1S/C23H29N2O4S/c1-4-30(26,27)25(15-7-8-19(16-24)17-25)20-11-13-21(14-12-20)29-23-10-6-5-9-22(23)28-18(2)3/h5-14,17-18H,4,15-16,24H2,1-3H3/q+1