N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2H-isoquinoline-3-carboxamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C17H21N3O2/c1-19-9-7-13(8-10-19)20(2)17(22)15-11-12-5-3-4-6-14(12)16(21)18-15/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/p+1