1-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(1R)-1-[1-(2-furylmethyl)tetrazol-5-yl]butyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(1R)-1-[1-(2-furanylmethyl)-5-tetrazolyl]butyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(1R)-1-[1-(2-furfuryl)tetrazol-5-yl]butyl]-4-phenyl-piperazin-1-ium Formula: C20H27N6O+ MolecularWeight: 367.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC[C@H](C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N6O/c1-2-7-19(20-21-22-23-26(20)16-18-10-6-15-27-18)25-13-11-24(12-14-25)17-8-4-3-5-9-17/h3-6,8-10,15,19H,2,7,11-14,16H2,1H3/p+1/t19-/m1/s1