1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one Formula: C18H20ClN6O+ MolecularWeight: 371.844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H19ClN6O/c19-15-5-4-8-17(13-15)23-11-9-22(10-12-23)14-24-18(26)25(21-20-24)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2/p+1