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

Systemtic Name: 1-(3-chlorophenyl)-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[[5-(2-thienyl)tetrazol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(5-thiophen-2-yl-2-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(5-thiophen-2-yltetrazol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[[5-(2-thienyl)tetrazol-2-yl]methyl]piperazin-4-ium Formula: C16H18ClN6S+ MolecularWeight: 361.87232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2N=C(N=N2)C3=CC=CS3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2N=C(N=N2)C3=CC=CS3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C16H17ClN6S/c17-13-3-1-4-14(11-13)22-8-6-21(7-9-22)12-23-19-16(18-20-23)15-5-2-10-24-15/h1-5,10-11H,6-9,12H2/p+1