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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(1-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-keto-4-(1-naphthylamino)butyrate Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C17H21N3O3/c18-9-4-10-19-15(17(22)23)11-16(21)20-14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,19H,4,9-11,18H2,(H,20,21)(H,22,23)/p+1/t15-/m1/s1