4-methyl-2,6-bis(1,4,7-triazonan-1-ylmethyl)phenolate

Systemtic Name: 4-methyl-2,6-bis(1,4,7-triazonan-1-ylmethyl)phenolate Openeye Name: 4-methyl-2,6-bis(1,4,7-triazonan-1-ylmethyl)phenolate CAS Name: 4-methyl-2,6-bis(1,4,7-triazonan-1-ylmethyl)phenolate IUPAC Name: 4-methyl-2,6-bis(1,4,7-triazonan-1-ylmethyl)phenolate Traditional Name: 4-methyl-2,6-bis(1,4,7-triazonan-1-ylmethyl)phenolate Formula: C21H37N6O- MolecularWeight: 389.55808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN2CCNCCNCC2)[O-])CN3CCNCCNCC3

Isomeric SMILES

CC1=CC(=C(C(=C1)CN2CCNCCNCC2)[O-])CN3CCNCCNCC3

InChI

InChI=1S/C21H38N6O/c1-18-14-19(16-26-10-6-22-2-3-23-7-11-26)21(28)20(15-18)17-27-12-8-24-4-5-25-9-13-27/h14-15,22-25,28H,2-13,16-17H2,1H3/p-1