(2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloro-2-methyl-anilino)-2-(2-morpholin-4-ium-4-ylethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-2-methylanilino)-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloro-2-methylanilino)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloro-2-methyl-anilino)-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)butyrate Formula: C17H25ClN3O4+ MolecularWeight: 370.8511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH+]2CCOCC2

InChI

InChI=1S/C17H24ClN3O4/c1-12-13(18)3-2-4-14(12)20-16(22)11-15(17(23)24)19-5-6-21-7-9-25-10-8-21/h2-4,15,19H,5-11H2,1H3,(H,20,22)(H,23,24)/p+1/t15-/m1/s1