2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium-1-amine

Systemtic Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium-1-amine Openeye Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium-1-amine CAS Name: 2-(1-benzotriazolylmethyl)-1-isoquinolin-2-iumamine IUPAC Name: 2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium-1-amine Traditional Name: [2-(benzotriazol-1-ylmethyl)isoquinolin-2-ium-1-yl]amine Formula: C16H14N5+ MolecularWeight: 276.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[N+](=C2N)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=C[N+](=C2N)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H13N5/c17-16-13-6-2-1-5-12(13)9-10-20(16)11-21-15-8-4-3-7-14(15)18-19-21/h1-10,17H,11H2/p+1