methyl 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenyl]ethanoate Openeye Name: methyl 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenyl]acetate CAS Name: 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenyl]acetate Traditional Name: 2-[4-[3-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenoxy]phenyl]acetic acid methyl ester Formula: C23H27N2O5S+ MolecularWeight: 443.53588

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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=C(C=C3)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2O5S/c1-3-31(27,28)25(13-5-6-19(16-24)17-25)20-7-4-8-22(15-20)30-21-11-9-18(10-12-21)14-23(26)29-2/h4-12,15,17H,3,13-14,16,24H2,1-2H3/q+1