2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine ethanoate

Systemtic Name: 2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine ethanoate Openeye Name: 2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine acetate CAS Name: 2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine acetate IUPAC Name: 2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine acetate Traditional Name: (17-amino-2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(15),16,18-trien-18-yl)amine acetate Formula: C16H27N3O6 MolecularWeight: 357.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1COCCOC2=C(C=C(C(=C2)N)N)OCCOCC[NH2+]1

Isomeric SMILES

CC(=O)[O-].C1COCCOC2=C(C=C(C(=C2)N)N)OCCOCC[NH2+]1

InChI

InChI=1S/C14H23N3O4.C2H4O2/c15-11-9-13-14(10-12(11)16)21-8-6-19-4-2-17-1-3-18-5-7-20-13;1-2(3)4/h9-10,17H,1-8,15-16H2;1H3,(H,3,4)