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

Systemtic Name: 1-benzofuran-2-yl-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N6O2/c28-21(19-14-16-6-4-5-9-18(16)29-19)26-12-10-25(11-13-26)15-20-22-23-24-27(20)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2/p+1