2-[(10-methylacridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(10-methylacridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(10-methylacridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(10-methyl-9-acridin-10-iumyl)amino]propanoic acid IUPAC Name: 2-[(10-methylacridin-10-ium-9-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(10-methylacridin-10-ium-9-yl)amino]propionic acid Formula: C17H17N2O2S+ MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CS)C(=O)O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CS)C(=O)O

InChI

InChI=1S/C17H16N2O2S/c1-19-14-8-4-2-6-11(14)16(18-13(10-22)17(20)21)12-7-3-5-9-15(12)19/h2-9,13H,10H2,1H3,(H2,20,21,22)/p+1