N-[[2-(2-methylisoquinolin-2-ium-4-yl)sulfanylphenyl]amino]methanamide

Systemtic Name: N-[[2-(2-methylisoquinolin-2-ium-4-yl)sulfanylphenyl]amino]methanamide Openeye Name: N-[2-(2-methylisoquinolin-2-ium-4-yl)sulfanylanilino]formamide CAS Name: N-[2-[(2-methyl-4-isoquinolin-2-iumyl)thio]anilino]formamide IUPAC Name: N-[2-(2-methylisoquinolin-2-ium-4-yl)sulfanylanilino]formamide Traditional Name: N-[2-[(2-methylisoquinolin-2-ium-4-yl)thio]anilino]formamide Formula: C17H16N3OS+ MolecularWeight: 310.39344

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=C1)SC3=CC=CC=C3NNC=O

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=C1)SC3=CC=CC=C3NNC=O

InChI

InChI=1S/C17H15N3OS/c1-20-10-13-6-2-3-7-14(13)17(11-20)22-16-9-5-4-8-15(16)19-18-12-21/h2-12,19H,1H3/p+1