4-(benzotriazol-1-ylmethyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium Openeye Name: 4-(benzotriazol-1-ylmethyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium CAS Name: 4-(1-benzotriazolylmethyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium IUPAC Name: 4-(benzotriazol-1-ylmethyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium Traditional Name: 4-(benzotriazol-1-ylmethyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium Formula: C17H20N5+ MolecularWeight: 294.3742

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1CC[NH+](CC2=CC=CC=C21)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H19N5/c1-20-10-11-21(12-14-6-2-4-8-16(14)20)13-22-17-9-5-3-7-15(17)18-19-22/h2-9H,10-13H2,1H3/p+1