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

Systemtic Name: 1-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzotriazole CAS Name: 1-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzotriazole Traditional Name: 1-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzotriazole Formula: C18H22N5+ MolecularWeight: 308.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5/c1-2-6-16(7-3-1)14-21-10-12-22(13-11-21)15-23-18-9-5-4-8-17(18)19-20-23/h1-9H,10-15H2/p+1