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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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