1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-[5-(3-thienyl)tetrazol-2-yl]ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-[5-(3-thiophenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-[5-(3-thienyl)tetrazol-2-yl]ethanone Formula: C22H23N6OS+ MolecularWeight: 419.52262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4N=C(N=N4)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4N=C(N=N4)C5=CSC=C5

InChI

InChI=1S/C22H22N6OS/c29-21(15-28-24-22(23-25-28)19-8-13-30-16-19)27-11-9-26(10-12-27)14-18-6-3-5-17-4-1-2-7-20(17)18/h1-8,13,16H,9-12,14-15H2/p+1