bis(benzotriazol-1-ylmethyl)-(6-oxidanylhexyl)azanium

Systemtic Name: bis(benzotriazol-1-ylmethyl)-(6-oxidanylhexyl)azanium Openeye Name: bis(benzotriazol-1-ylmethyl)-(6-hydroxyhexyl)ammonium CAS Name: bis(1-benzotriazolylmethyl)-(6-hydroxyhexyl)ammonium IUPAC Name: bis(benzotriazol-1-ylmethyl)-(6-hydroxyhexyl)azanium Traditional Name: bis(benzotriazol-1-ylmethyl)-(6-hydroxyhexyl)ammonium Formula: C20H26N7O+ MolecularWeight: 380.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C[NH+](CCCCCCO)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C[NH+](CCCCCCO)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H25N7O/c28-14-8-2-1-7-13-25(15-26-19-11-5-3-9-17(19)21-23-26)16-27-20-12-6-4-10-18(20)22-24-27/h3-6,9-12,28H,1-2,7-8,13-16H2/p+1