[1-ethylsulfonyl-1-[3-(2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[3-(2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(2-isopropylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(2-isopropylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3C(C)C

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3C(C)C

InChI

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