2-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium

Systemtic Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Openeye Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium CAS Name: 2-(1-benzotriazolylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium IUPAC Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Traditional Name: 2-(benzotriazol-1-ylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-2-ium Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C[NH+](C1)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC2=CC=CC=C2C[NH+](C1)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18N4/c1-2-7-15-12-20(11-5-8-14(15)6-1)13-21-17-10-4-3-9-16(17)18-19-21/h1-4,6-7,9-10H,5,8,11-13H2/p+1