ethyl (E)-3-[4-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)O

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)O

InChI

InChI=1S/C18H24N2O4/c1-2-24-18(23)8-5-14-3-6-15(7-4-14)19-17(22)13-20-11-9-16(21)10-12-20/h3-8,16,21H,2,9-13H2,1H3,(H,19,22)/p+1/b8-5+