(2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-(2-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(4-morpholin-4-iumyl)propylammonio]-4-(2-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(3-morpholin-4-ium-4-ylpropylammonio)-4-(2-naphthylamino)butyrate Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]C(CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+][C@H](CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-20(23-18-7-6-16-4-1-2-5-17(16)14-18)15-19(21(26)27)22-8-3-9-24-10-12-28-13-11-24/h1-2,4-7,14,19,22H,3,8-13,15H2,(H,23,25)(H,26,27)/p+1/t19-/m1/s1