3-(methoxymethyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methoxymethyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(methoxymethyl)-N-(4-methylpiperazin-4-ium-1-yl)benzofuran-2-carboxamide CAS Name: 3-(methoxymethyl)-N-(4-methyl-1-piperazin-4-iumyl)-2-benzofurancarboxamide IUPAC Name: 3-(methoxymethyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-(methoxymethyl)-N-(4-methylpiperazin-4-ium-1-yl)coumarilamide Formula: C16H22N3O3+ MolecularWeight: 304.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C16H21N3O3/c1-18-7-9-19(10-8-18)17-16(20)15-13(11-21-2)12-5-3-4-6-14(12)22-15/h3-6H,7-11H2,1-2H3,(H,17,20)/p+1