2-isocyanato-N1,N1'-bis(6-isocyanatohexyl)azepan-1-ium-1,1-dicarboxamide

Systemtic Name: 2-isocyanato-N1,N1'-bis(6-isocyanatohexyl)azepan-1-ium-1,1-dicarboxamide Openeye Name: 2-isocyanato-N1,N1'-bis(6-isocyanatohexyl)azepan-1-ium-1,1-dicarboxamide CAS Name: 2-isocyanato-N1,N1'-bis(6-isocyanatohexyl)azepan-1-ium-1,1-dicarboxamide IUPAC Name: 2-isocyanato-1-N,1-N'-bis(6-isocyanatohexyl)azepan-1-ium-1,1-dicarboxamide Traditional Name: 2-isocyanato-N,N'-bis(6-isocyanatohexyl)azepan-1-ium-1,1-dicarboxamide Formula: C23H37N6O5+ MolecularWeight: 477.57708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N6O5/c30-18-24-13-7-1-3-9-15-26-22(33)29(17-11-5-6-12-21(29)28-20-32)23(34)27-16-10-4-2-8-14-25-19-31/h21H,1-17H2,(H-,26,27,33,34)/p+1