[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H23ClN2O4/c1-15-12-18(22)6-7-19(15)23-20(25)14-28-21(26)17-4-2-16(3-5-17)13-24-8-10-27-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)/p+1