1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-2-indolecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Traditional Name: 1-(3-amidinobenzyl)-5-fluoro-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide Formula: C24H23FN5O+ MolecularWeight: 416.470723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)F

Isomeric SMILES

C[N+]1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)F

InChI

InChI=1S/C24H22FN5O/c1-29-9-7-16(8-10-29)14-28-24(31)22-13-19-12-20(25)5-6-21(19)30(22)15-17-3-2-4-18(11-17)23(26)27/h2-13H,14-15H2,1H3,(H3-,26,27,28,31)/p+1