2-(1,3-dioxan-2-yl)-5-methyl-phenanthridin-5-ium-6-carboxylic acid

Systemtic Name: 2-(1,3-dioxan-2-yl)-5-methyl-phenanthridin-5-ium-6-carboxylic acid Openeye Name: 2-(1,3-dioxan-2-yl)-5-methyl-phenanthridin-5-ium-6-carboxylic acid CAS Name: 2-(1,3-dioxan-2-yl)-5-methyl-6-phenanthridin-5-iumcarboxylic acid IUPAC Name: 2-(1,3-dioxan-2-yl)-5-methylphenanthridin-5-ium-6-carboxylic acid Traditional Name: 2-(1,3-dioxan-2-yl)-5-methyl-phenanthridin-5-ium-6-carboxylic acid Formula: C19H18NO4+ MolecularWeight: 324.35052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C3=C1C=CC(=C3)C4OCCCO4)C(=O)O

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C3=C1C=CC(=C3)C4OCCCO4)C(=O)O

InChI

InChI=1S/C19H17NO4/c1-20-16-8-7-12(19-23-9-4-10-24-19)11-15(16)13-5-2-3-6-14(13)17(20)18(21)22/h2-3,5-8,11,19H,4,9-10H2,1H3/p+1