2-isocyanato-1-(2-isocyanatoazepan-1-yl)carbonyl-N-(6-isocyanatohexyl)azepan-1-ium-1-carboxamide

Systemtic Name: 2-isocyanato-1-(2-isocyanatoazepan-1-yl)carbonyl-N-(6-isocyanatohexyl)azepan-1-ium-1-carboxamide Openeye Name: 2-isocyanato-1-(2-isocyanatoazepane-1-carbonyl)-N-(6-isocyanatohexyl)azepan-1-ium-1-carboxamide CAS Name: 2-isocyanato-1-[(2-isocyanato-1-azepanyl)-oxomethyl]-N-(6-isocyanatohexyl)-1-azepan-1-iumcarboxamide IUPAC Name: 2-isocyanato-1-(2-isocyanatoazepane-1-carbonyl)-N-(6-isocyanatohexyl)azepan-1-ium-1-carboxamide Traditional Name: 2-isocyanato-1-(2-isocyanatoazepane-1-carbonyl)-N-(6-isocyanatohexyl)azepan-1-ium-1-carboxamide Formula: C23H35N6O5+ MolecularWeight: 475.5612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)[N+]2(CCCCCC2N=C=O)C(=O)NCCCCCCN=C=O)N=C=O

Isomeric SMILES

C1CCC(N(CC1)C(=O)[N+]2(CCCCCC2N=C=O)C(=O)NCCCCCCN=C=O)N=C=O

InChI

InChI=1S/C23H34N6O5/c30-17-24-13-7-1-2-8-14-25-22(33)29(16-10-4-6-12-21(29)27-19-32)23(34)28-15-9-3-5-11-20(28)26-18-31/h20-21H,1-16H2/p+1