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

Systemtic Name: ethyl (E)-3-[4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-2-26-18(24)8-5-14-3-6-16(7-4-14)21-17(23)13-22-11-9-15(10-12-22)19(20)25/h3-8,15H,2,9-13H2,1H3,(H2,20,25)(H,21,23)/p+1/b8-5+