2-[(10-oxidanidylacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(10-oxidanidylacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(10-oxido-9-acridin-10-iumyl)methylamino]propanoic acid IUPAC Name: 2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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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/h1-8,14,18,23H,9-10H2,(H,20,21)