(2R)-2-(3-methoxypropylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-methoxypropylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-methoxypropylammonio)-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-(3-methoxypropylammonio)-4-(1-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-methoxypropylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(3-methoxypropylammonio)-4-(1-naphthylamino)butyrate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]C(CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

COCCC[NH2+][C@H](CC(=O)NC1=CC=CC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-24-11-5-10-19-16(18(22)23)12-17(21)20-15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9,16,19H,5,10-12H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1