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

Systemtic Name: ethyl (E)-3-[4-[2-(azepan-1-ium-1-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(azepan-1-ium-1-yl)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C19H26N2O3/c1-2-24-19(23)12-9-16-7-10-17(11-8-16)20-18(22)15-21-13-5-3-4-6-14-21/h7-12H,2-6,13-15H2,1H3,(H,20,22)/p+1/b12-9+