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

Systemtic Name: 2-[(10-oxidanylidene-4aH-acridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(10-oxo-4aH-acridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(10-oxo-4aH-acridin-10-ium-9-yl)amino]propanoic acid IUPAC Name: 2-[(10-oxo-4aH-acridin-10-ium-9-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(10-keto-4aH-acridin-10-ium-9-yl)amino]-3-mercapto-propionic acid Formula: C16H15N2O3S+ MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c19-16(20)12(9-22)17-15-10-5-1-3-7-13(10)18(21)14-8-4-2-6-11(14)15/h1-8,12-13,17H,9H2,(H-,19,20,22)/p+1