1-[(4-piperazin-4-ium-1-ylphenyl)methyl]benzotriazole

Systemtic Name: 1-[(4-piperazin-4-ium-1-ylphenyl)methyl]benzotriazole Openeye Name: 1-[(4-piperazin-4-ium-1-ylphenyl)methyl]benzotriazole CAS Name: 1-[[4-(1-piperazin-4-iumyl)phenyl]methyl]benzotriazole IUPAC Name: 1-[(4-piperazin-4-ium-1-ylphenyl)methyl]benzotriazole Traditional Name: 1-(4-piperazin-4-ium-1-ylbenzyl)benzotriazole Formula: C17H20N5+ MolecularWeight: 294.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H19N5/c1-2-4-17-16(3-1)19-20-22(17)13-14-5-7-15(8-6-14)21-11-9-18-10-12-21/h1-8,18H,9-13H2/p+1