2-[2-[4-(2-chlorophenyl)morpholin-4-ium-4-yl]-2-cyano-ethyl]-3-methyl-benzoate

Systemtic Name: 2-[2-[4-(2-chlorophenyl)morpholin-4-ium-4-yl]-2-cyano-ethyl]-3-methyl-benzoate Openeye Name: 2-[2-[4-(2-chlorophenyl)morpholin-4-ium-4-yl]-2-cyano-ethyl]-3-methyl-benzoate CAS Name: 2-[2-[4-(2-chlorophenyl)-4-morpholin-4-iumyl]-2-cyanoethyl]-3-methylbenzoate IUPAC Name: 2-[2-[4-(2-chlorophenyl)morpholin-4-ium-4-yl]-2-cyanoethyl]-3-methylbenzoate Traditional Name: 2-[2-[4-(2-chlorophenyl)morpholin-4-ium-4-yl]-2-cyano-ethyl]-3-methyl-benzoate Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1CC(C#N)[N+]2(CCOCC2)C3=CC=CC=C3Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1CC(C#N)[N+]2(CCOCC2)C3=CC=CC=C3Cl)C(=O)[O-]

InChI

InChI=1S/C21H21ClN2O3/c1-15-5-4-6-17(21(25)26)18(15)13-16(14-23)24(9-11-27-12-10-24)20-8-3-2-7-19(20)22/h2-8,16H,9-13H2,1H3