3,5-dimethyl-2-oxidanidyl-1-thiophen-2-yl-isoquinolin-2-ium-4-carboxamide

Systemtic Name: 3,5-dimethyl-2-oxidanidyl-1-thiophen-2-yl-isoquinolin-2-ium-4-carboxamide Openeye Name: 3,5-dimethyl-2-oxido-1-(2-thienyl)isoquinolin-2-ium-4-carboxamide CAS Name: 3,5-dimethyl-2-oxido-1-thiophen-2-yl-4-isoquinolin-2-iumcarboxamide IUPAC Name: 3,5-dimethyl-2-oxido-1-thiophen-2-ylisoquinolin-2-ium-4-carboxamide Traditional Name: 3,5-dimethyl-2-oxido-1-(2-thienyl)isoquinolin-2-ium-4-carboxamide Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=C([N+](=C2C3=CC=CS3)[O-])C)C(=O)N

Isomeric SMILES

CC1=CC=CC2=C1C(=C([N+](=C2C3=CC=CS3)[O-])C)C(=O)N

InChI

InChI=1S/C16H14N2O2S/c1-9-5-3-6-11-13(9)14(16(17)19)10(2)18(20)15(11)12-7-4-8-21-12/h3-8H,1-2H3,(H2,17,19)