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

Systemtic Name: ethyl (E)-3-[4-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[(3S)-3-methylpiperidin-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+]2CCCC(C2)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C19H26N2O3/c1-3-24-19(23)11-8-16-6-9-17(10-7-16)20-18(22)14-21-12-4-5-15(2)13-21/h6-11,15H,3-5,12-14H2,1-2H3,(H,20,22)/p+1/b11-8+/t15-/m0/s1