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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(2-furylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(2-furfuryl)tetrazol-5-yl]propyl]piperazin-4-ium Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC[C@H](C1=NN=NN1CC2=CC=CO2)[NH+]3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C21H28N6O/c1-4-19(21-22-23-24-27(21)15-18-8-6-14-28-18)25-10-12-26(13-11-25)20-9-5-7-16(2)17(20)3/h5-9,14,19H,4,10-13,15H2,1-3H3/p+1/t19-/m1/s1