2-[(10-oxidanylidene-4aH-acridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(10-oxidanylidene-4aH-acridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(10-oxo-4aH-acridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(10-oxo-4aH-acridin-10-ium-9-yl)methylamino]propanoic acid IUPAC Name: 2-[(10-oxo-4aH-acridin-10-ium-9-yl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(10-keto-4aH-acridin-10-ium-9-yl)methylamino]-3-mercapto-propionic acid Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3[N+]2=O)CNC(CS)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3[N+]2=O)CNC(CS)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c20-17(21)14(10-23)18-9-13-11-5-1-3-7-15(11)19(22)16-8-4-2-6-12(13)16/h1-8,14-15,18H,9-10H2,(H-,20,21,23)/p+1