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

Systemtic Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C16H19N6OS+ MolecularWeight: 343.42666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)N(N=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C16H18N6OS/c23-16-21(17-18-22(16)15-7-4-12-24-15)13-19-8-10-20(11-9-19)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2/p+1