N,N-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-1-oxidanylidene-2H-isoquinoline-5-carboxamide

Systemtic Name: N,N-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-1-oxidanylidene-2H-isoquinoline-5-carboxamide Openeye Name: N,N-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-1-oxo-2H-isoquinoline-5-carboxamide CAS Name: N,N-dimethyl-3-(1-methyl-1-piperidin-1-iumyl)-1-oxo-2H-isoquinoline-5-carboxamide IUPAC Name: N,N-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-1-oxo-2H-isoquinoline-5-carboxamide Traditional Name: 1-keto-N,N-dimethyl-3-(1-methylpiperidin-1-ium-1-yl)-2H-isoquinoline-5-carboxamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=CC2=C1C=C(NC2=O)[N+]3(CCCCC3)C

Isomeric SMILES

CN(C)C(=O)C1=CC=CC2=C1C=C(NC2=O)[N+]3(CCCCC3)C

InChI

InChI=1S/C18H23N3O2/c1-20(2)18(23)14-9-7-8-13-15(14)12-16(19-17(13)22)21(3)10-5-4-6-11-21/h7-9,12H,4-6,10-11H2,1-3H3/p+1