bis(benzotriazol-1-ylmethyl)-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: bis(benzotriazol-1-ylmethyl)-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: bis(benzotriazol-1-ylmethyl)-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: bis(1-benzotriazolylmethyl)-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: bis(benzotriazol-1-ylmethyl)-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: bis(benzotriazol-1-ylmethyl)-homoveratryl-ammonium Formula: C24H26N7O2+ MolecularWeight: 444.50894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C24H25N7O2/c1-32-23-12-11-18(15-24(23)33-2)13-14-29(16-30-21-9-5-3-7-19(21)25-27-30)17-31-22-10-6-4-8-20(22)26-28-31/h3-12,15H,13-14,16-17H2,1-2H3/p+1