heptaazanium N'-(2-azanylethyl)ethane-1,2-diamine heptaethanoate

Systemtic Name: heptaazanium N'-(2-azanylethyl)ethane-1,2-diamine heptaethanoate Openeye Name: heptaammonium N'-(2-aminoethyl)ethane-1,2-diamine heptaacetate CAS Name: heptaammonium N'-(2-aminoethyl)ethane-1,2-diamine heptaacetate IUPAC Name: heptaazanium N'-(2-aminoethyl)ethane-1,2-diamine heptaacetate Traditional Name: heptaammonium bis(2-aminoethyl)amine heptaacetate Formula: C18H62N10O14 MolecularWeight: 642.74348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(CNCCN)N.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C4H13N3.7C2H4O2.7H3N/c5-1-3-7-4-2-6;7*1-2(3)4;;;;;;;/h7H,1-6H2;7*1H3,(H,3,4);7*1H3