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

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-(2-isopropoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-(2-propan-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-(2-isopropoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C24H29N2O4S+ MolecularWeight: 441.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

CC(C)OC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

InChI

InChI=1S/C24H29N2O4S/c1-18(2)29-23-7-3-4-8-24(23)30-21-11-9-20(10-12-21)26(31(27,28)22-13-14-22)15-5-6-19(16-25)17-26/h3-12,17-18,22H,13-16,25H2,1-2H3/q+1