(2R)-4-[(2-bromophenyl)amino]-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(2-bromoanilino)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(2-bromoanilino)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)butyrate Formula: C17H25BrN3O4+ MolecularWeight: 415.3021

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]C(CC(=O)NC2=CC=CC=C2Br)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+][C@H](CC(=O)NC2=CC=CC=C2Br)C(=O)[O-]

InChI

InChI=1S/C17H24BrN3O4/c18-13-4-1-2-5-14(13)20-16(22)12-15(17(23)24)19-6-3-7-21-8-10-25-11-9-21/h1-2,4-5,15,19H,3,6-12H2,(H,20,22)(H,23,24)/p+1/t15-/m1/s1