N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)benzamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)benzamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(1-oxido-2-pyridin-1-iumyl)benzamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-(1-oxidopyridin-1-ium-2-yl)benzamide Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=C(C=C3)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)C3=CC=C(C=C3)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C23H22N4O3/c24-22(25)17-8-9-21-19(13-17)18(14-30-21)10-11-26-23(28)16-6-4-15(5-7-16)20-3-1-2-12-27(20)29/h1-9,12-13,18H,10-11,14H2,(H3,24,25)(H,26,28)