2-[4,7,10-tris(2-azanyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]ethanamide

Systemtic Name: 2-[4,7,10-tris(2-azanyl-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]ethanamide Openeye Name: 2-[4,7,10-tris(2-amino-2-oxo-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetamide CAS Name: 2-[4,7,10-tris(2-amino-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetamide IUPAC Name: 2-[4,7,10-tris(2-amino-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetamide Traditional Name: 2-[4,7,10-tris(2-amino-2-keto-ethyl)-4,10-diaza-1,7-diazoniacyclotridec-1-yl]acetamide Formula: C17H36N8O4+2 MolecularWeight: 416.51894

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(CC[NH+](CCN(C1)CC(=O)N)CC(=O)N)CC(=O)N)CC(=O)N

Isomeric SMILES

C1C[NH+](CCN(CC[NH+](CCN(C1)CC(=O)N)CC(=O)N)CC(=O)N)CC(=O)N

InChI

InChI=1S/C17H34N8O4/c18-14(26)10-22-2-1-3-23(11-15(19)27)5-7-25(13-17(21)29)9-8-24(6-4-22)12-16(20)28/h1-13H2,(H2,18,26)(H2,19,27)(H2,20,28)(H2,21,29)/p+2