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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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