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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]pentyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[(1R)-1-[1-(2-furylmethyl)tetrazol-5-yl]pentyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-(2-furanylmethyl)-5-tetrazolyl]pentyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-[(1R)-1-[1-(2-furfuryl)tetrazol-5-yl]pentyl]piperazin-4-ium Formula: C22H30ClN6O+ MolecularWeight: 429.9662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN6O/c1-3-4-7-20(22-24-25-26-29(22)16-19-6-5-14-30-19)27-10-12-28(13-11-27)21-15-18(23)9-8-17(21)2/h5-6,8-9,14-15,20H,3-4,7,10-13,16H2,1-2H3/p+1/t20-/m1/s1