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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-1-ium Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-ium CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-ium Traditional Name: 1-(coumaran-5-ylmethyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-ium Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)CC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H24N6O/c1-2-4-19(5-3-1)27-21(22-23-24-27)16-26-11-9-25(10-12-26)15-17-6-7-20-18(14-17)8-13-28-20/h1-7,14H,8-13,15-16H2/p+1