1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole Formula: C17H19ClN5+ MolecularWeight: 328.81926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H18ClN5/c18-14-4-3-5-15(12-14)22-10-8-21(9-11-22)13-23-17-7-2-1-6-16(17)19-20-23/h1-7,12H,8-11,13H2/p+1