6-[1,3-bis[6-(carboxyamino)hexyl]-2,4,6-tris(oxidanylidene)-1,2,3-triazinan-2-ium-5-yl]hexylcarbamic acid

Systemtic Name: 6-[1,3-bis[6-(carboxyamino)hexyl]-2,4,6-tris(oxidanylidene)-1,2,3-triazinan-2-ium-5-yl]hexylcarbamic acid Openeye Name: 6-[1,3-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-triazinan-2-ium-5-yl]hexylcarbamic acid CAS Name: 6-[1,3-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-5-triazinan-2-iumyl]hexylcarbamic acid IUPAC Name: 6-[1,3-bis[6-(carboxyamino)hexyl]-2,4,6-trioxotriazinan-2-ium-5-yl]hexylcarbamic acid Traditional Name: 6-[1,3-bis[6-(carboxyamino)hexyl]-2,4,6-triketo-triazinan-2-ium-5-yl]hexylcarbamic acid Formula: C24H43N6O9+ MolecularWeight: 559.63302

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCNC(=O)O)CCC1C(=O)N([N+](=O)N(C1=O)CCCCCCNC(=O)O)CCCCCCNC(=O)O

Isomeric SMILES

C(CCCNC(=O)O)CCC1C(=O)N([N+](=O)N(C1=O)CCCCCCNC(=O)O)CCCCCCNC(=O)O

InChI

InChI=1S/C24H42N6O9/c31-20-19(13-7-1-2-8-14-25-22(33)34)21(32)29(18-12-6-4-10-16-27-24(37)38)30(39)28(20)17-11-5-3-9-15-26-23(35)36/h19,25-27H,1-18H2,(H2-,33,34,35,36,37,38)/p+1