2-[(2-methylquinolin-4-yl)amino]pyridin-1-ium-3-carbothioamide

Systemtic Name: 2-[(2-methylquinolin-4-yl)amino]pyridin-1-ium-3-carbothioamide Openeye Name: 2-[(2-methyl-4-quinolyl)amino]pyridin-1-ium-3-carbothioamide CAS Name: 2-[(2-methyl-4-quinolinyl)amino]-3-pyridin-1-iumcarbothioamide IUPAC Name: 2-[(2-methylquinolin-4-yl)amino]pyridin-1-ium-3-carbothioamide Traditional Name: 2-[(2-methyl-4-quinolyl)amino]pyridin-1-ium-3-carbothioamide Formula: C16H15N4S+ MolecularWeight: 295.3821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=C(C=CC=[NH+]3)C(=S)N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=C(C=CC=[NH+]3)C(=S)N

InChI

InChI=1S/C16H14N4S/c1-10-9-14(11-5-2-3-7-13(11)19-10)20-16-12(15(17)21)6-4-8-18-16/h2-9H,1H3,(H2,17,21)(H,18,19,20)/p+1