benzotriazol-1-ylmethyl-[3-[benzotriazol-1-ylmethyl(ethyl)amino]propyl]-ethyl-azanium

Systemtic Name: benzotriazol-1-ylmethyl-[3-[benzotriazol-1-ylmethyl(ethyl)amino]propyl]-ethyl-azanium Openeye Name: benzotriazol-1-ylmethyl-[3-[benzotriazol-1-ylmethyl(ethyl)amino]propyl]-ethyl-ammonium CAS Name: 1-benzotriazolylmethyl-[3-[1-benzotriazolylmethyl(ethyl)amino]propyl]-ethylammonium IUPAC Name: benzotriazol-1-ylmethyl-[3-[benzotriazol-1-ylmethyl(ethyl)amino]propyl]-ethylazanium Traditional Name: benzotriazol-1-ylmethyl-[3-[benzotriazol-1-ylmethyl(ethyl)amino]propyl]-ethyl-ammonium Formula: C21H29N8+ MolecularWeight: 393.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCN(CC)CN1C2=CC=CC=C2N=N1)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC[NH+](CCCN(CC)CN1C2=CC=CC=C2N=N1)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H28N8/c1-3-26(16-28-20-12-7-5-10-18(20)22-24-28)14-9-15-27(4-2)17-29-21-13-8-6-11-19(21)23-25-29/h5-8,10-13H,3-4,9,14-17H2,1-2H3/p+1