ethyl (E)-3-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenyl]acrylic acid ethyl ester Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC=C1)[N+]2(CC=CC(=C2)CN)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC=C1)[N+]2(CC=CC(=C2)CN)S(=O)(=O)CC

InChI

InChI=1S/C19H25N2O4S/c1-3-25-19(22)11-10-16-7-5-9-18(13-16)21(26(23,24)4-2)12-6-8-17(14-20)15-21/h5-11,13,15H,3-4,12,14,20H2,1-2H3/q+1/b11-10+