6-[2-(1-oxidanylpyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione

Systemtic Name: 6-[2-(1-oxidanylpyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione Openeye Name: 6-[2-(1-hydroxypyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione CAS Name: 6-[2-(1-hydroxy-2-pyridin-1-iumyl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione IUPAC Name: 6-[2-(1-hydroxypyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione Traditional Name: 6-[2-(1-hydroxypyridin-1-ium-2-yl)ethyl]-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione Formula: C17H26N5O4+ MolecularWeight: 364.41944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O4/c23-15-6-7-18-8-9-20-16(24)14(17(25)21-11-10-19-15)5-4-13-3-1-2-12-22(13)26/h1-3,12,14,18H,4-11H2,(H3-,19,20,21,23,24,25,26)/p+1