3-(benzotriazol-1-ylmethyl)-N-nonyl-7H-purin-3-ium-6-amine

Systemtic Name: 3-(benzotriazol-1-ylmethyl)-N-nonyl-7H-purin-3-ium-6-amine Openeye Name: 3-(benzotriazol-1-ylmethyl)-N-nonyl-7H-purin-3-ium-6-amine CAS Name: 3-(1-benzotriazolylmethyl)-N-nonyl-7H-purin-3-ium-6-amine IUPAC Name: 3-(benzotriazol-1-ylmethyl)-N-nonyl-7H-purin-3-ium-6-amine Traditional Name: [3-(benzotriazol-1-ylmethyl)-7H-purin-3-ium-6-yl]-nonyl-amine Formula: C21H29N8+ MolecularWeight: 393.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCNC1=C2C(=[N+](C=N1)CN3C4=CC=CC=C4N=N3)N=CN2

Isomeric SMILES

CCCCCCCCCNC1=C2C(=[N+](C=N1)CN3C4=CC=CC=C4N=N3)N=CN2

InChI

InChI=1S/C21H28N8/c1-2-3-4-5-6-7-10-13-22-20-19-21(24-14-23-19)28(15-25-20)16-29-18-12-9-8-11-17(18)26-27-29/h8-9,11-12,14-15H,2-7,10,13,16H2,1H3,(H,22,23,24)/p+1