ethyl (2R)-2-cyano-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]imino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]imino-propanoate Openeye Name: ethyl (2R)-2-cyano-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]imino-propanoate CAS Name: (2R)-2-cyano-3-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminopropanoate Traditional Name: (2R)-2-cyano-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]imino-propionic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=C(C=C1)OC)[NH+]2CCOCC2)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NC[C@H](C1=CC=C(C=C1)OC)[NH+]2CCOCC2)C#N

InChI

InChI=1S/C19H25N3O4/c1-3-26-19(23)16(12-20)13-21-14-18(22-8-10-25-11-9-22)15-4-6-17(24-2)7-5-15/h4-7,13,16,18H,3,8-11,14H2,1-2H3/p+1/t16-,18+/m0/s1