ethyl (E)-2-cyano-3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-cyano-acrylic acid ethyl ester Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CC[NH+](C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N[C@H]1CC[NH+](C1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C17H21N3O2/c1-2-22-17(21)15(10-18)11-19-16-8-9-20(13-16)12-14-6-4-3-5-7-14/h3-7,11,16,19H,2,8-9,12-13H2,1H3/p+1/b15-11+/t16-/m0/s1