3-(1-methylpiperidin-1-ium-1-yl)-1-oxidanylidene-2H-isoquinoline-5-carboxylic acid

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-oxidanylidene-2H-isoquinoline-5-carboxylic acid Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-oxo-2H-isoquinoline-5-carboxylic acid CAS Name: 3-(1-methyl-1-piperidin-1-iumyl)-1-oxo-2H-isoquinoline-5-carboxylic acid IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-oxo-2H-isoquinoline-5-carboxylic acid Traditional Name: 1-keto-3-(1-methylpiperidin-1-ium-1-yl)-2H-isoquinoline-5-carboxylic acid Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C2=CC3=C(C=CC=C3C(=O)O)C(=O)N2

Isomeric SMILES

C[N+]1(CCCCC1)C2=CC3=C(C=CC=C3C(=O)O)C(=O)N2

InChI

InChI=1S/C16H18N2O3/c1-18(8-3-2-4-9-18)14-10-13-11(15(19)17-14)6-5-7-12(13)16(20)21/h5-7,10H,2-4,8-9H2,1H3,(H-,17,19,20,21)/p+1