ethyl (2R)-2-cyano-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]imino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]imino-propanoate Openeye Name: ethyl (2R)-2-cyano-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]imino-propanoate CAS Name: (2R)-2-cyano-3-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminopropanoate Traditional Name: (2R)-2-cyano-3-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]imino-propionic acid ethyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=CC=C1)[NH+]2CCCC2)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NC[C@H](C1=CC=CC=C1)[NH+]2CCCC2)C#N

InChI

InChI=1S/C18H23N3O2/c1-2-23-18(22)16(12-19)13-20-14-17(21-10-6-7-11-21)15-8-4-3-5-9-15/h3-5,8-9,13,16-17H,2,6-7,10-11,14H2,1H3/p+1/t16-,17+/m0/s1