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

Systemtic Name: [1-ethylsulfonyl-1-[4-(4-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(4-isopropylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(4-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(4-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(4-isopropylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N2O3S/c1-4-29(26,27)25(15-5-6-19(16-24)17-25)21-9-13-23(14-10-21)28-22-11-7-20(8-12-22)18(2)3/h5-14,17-18H,4,15-16,24H2,1-3H3/q+1