ethyl (2R)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]imino-2-cyano-propanoate

Systemtic Name: ethyl (2R)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]imino-2-cyano-propanoate Openeye Name: ethyl (2R)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]imino-2-cyano-propanoate CAS Name: (2R)-3-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]imino]-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]imino-2-cyanopropanoate Traditional Name: (2R)-3-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]imino-2-cyano-propionic acid ethyl ester Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C18H22ClN3O2/c1-2-24-18(23)15(11-20)12-21-17-7-9-22(10-8-17)13-14-3-5-16(19)6-4-14/h3-6,12,15,17H,2,7-10,13H2,1H3/p+1/t15-/m0/s1