N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-oxidanyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]-1-oxidanyl-pyridin-1-ium-3-carboxamide Openeye Name: 1-hydroxy-N-[N-(2-methylbenzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]pyridin-1-ium-3-carboxamide CAS Name: 1-hydroxy-N-[[(2-methyl-5-benzofuranyl)amino]-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-hydroxy-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-hydroxy-N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(2-methylbenzofuran-5-yl)amidino]pyridin-1-ium-3-carboxamide Formula: C28H33N6O5+ MolecularWeight: 533.59882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=C[N+](=CC=C5)O

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=C[N+](=CC=C5)O

InChI

InChI=1S/C28H32N6O5/c1-19-15-21-16-22(9-10-24(21)39-19)29-28(31-26(36)20-7-6-14-34(38)17-20)30-23-8-2-3-13-33(27(23)37)18-25(35)32-11-4-5-12-32/h6-7,9-10,14-17,23H,2-5,8,11-13,18H2,1H3,(H2-,29,30,31,36,38)/p+1