6-[2-(1-oxidanylpyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione

Systemtic Name: 6-[2-(1-oxidanylpyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione Openeye Name: 6-[2-(1-hydroxypyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione CAS Name: 6-[2-(1-hydroxy-2-pyridin-1-iumyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione IUPAC Name: 6-[2-(1-hydroxypyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione Traditional Name: 6-[2-(1-hydroxypyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7-quinone Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCNC1)CCC2=CC=CC=[N+]2O

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCNC1)CCC2=CC=CC=[N+]2O

InChI

InChI=1S/C17H27N5O3/c23-16-15(6-5-14-4-1-2-13-22(14)25)17(24)21-12-10-19-8-3-7-18-9-11-20-16/h1-2,4,13,15,18-19H,3,5-12H2,(H2-,20,21,23,24,25)/p+1