sodium 2-(3-azanyl-2-oxidanylidene-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)ethanoic acid

Systemtic Name: sodium 2-(3-azanyl-2-oxidanylidene-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)ethanoic acid Openeye Name: sodium 2-(3-amino-2-oxo-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)acetic acid CAS Name: sodium 2-(3-amino-2-oxo-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)acetic acid IUPAC Name: sodium 2-(3-amino-2-oxo-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)acetic acid Traditional Name: sodium 2-(3-amino-2-keto-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)acetic acid Formula: C14H18N2NaO3+ MolecularWeight: 285.29409

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CC=CC=C2N(C(=O)C(C1)N)CC(=O)O.[Na+]

Isomeric SMILES

C1CCC2=CC=CC=C2N(C(=O)C(C1)N)CC(=O)O.[Na+]

InChI

InChI=1S/C14H18N2O3.Na/c15-11-7-3-1-5-10-6-2-4-8-12(10)16(14(11)19)9-13(17)18;/h2,4,6,8,11H,1,3,5,7,9,15H2,(H,17,18);/q;+1