(2S)-2-azanylbutanedioic acid; quinolin-1-ium

Systemtic Name: (2S)-2-azanylbutanedioic acid; quinolin-1-ium Openeye Name: (2S)-2-aminobutanedioic acid; quinolin-1-ium CAS Name: (2S)-2-aminobutanedioic acid; quinolin-1-ium IUPAC Name: (2S)-2-aminobutanedioic acid; quinolin-1-ium Traditional Name: (2S)-2-aminosuccinic acid; quinolin-1-ium Formula: C17H22N3O8+ MolecularWeight: 396.37188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[NH+]2.C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[NH+]2.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H7N.2C4H7NO4/c1-2-6-9-8(4-1)5-3-7-10-9;2*5-2(4(8)9)1-3(6)7/h1-7H;2*2H,1,5H2,(H,6,7)(H,8,9)/p+1/t;2*2-/m.00/s1