2,6-bis[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-4-methyl-phenolate

Systemtic Name: 2,6-bis[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-4-methyl-phenolate Openeye Name: 2,6-bis[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-4-methyl-phenolate CAS Name: 2,6-bis[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-4-methylphenolate IUPAC Name: 2,6-bis[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-4-methylphenolate Traditional Name: 2,6-bis[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-4-methyl-phenolate Formula: C25H45N6O- MolecularWeight: 445.6644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN2CCN(CCN(CC2)C)C)[O-])CN3CCN(CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CN2CCN(CCN(CC2)C)C)[O-])CN3CCN(CCN(CC3)C)C

InChI

InChI=1S/C25H46N6O/c1-22-18-23(20-30-14-10-26(2)6-7-27(3)11-15-30)25(32)24(19-22)21-31-16-12-28(4)8-9-29(5)13-17-31/h18-19,32H,6-17,20-21H2,1-5H3/p-1