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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-methyl-butyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(2-furylmethyl)tetrazol-5-yl]-3-methyl-butyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(2-furanylmethyl)-5-tetrazolyl]-3-methylbutyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-(2-furfuryl)tetrazol-5-yl]-3-methyl-butyl]piperazin-4-ium Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(CC(C)C)C3=NN=NN3CC4=CC=CO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](CC(C)C)C3=NN=NN3CC4=CC=CO4)C

InChI

InChI=1S/C23H32N6O/c1-17(2)15-22(23-24-25-26-29(23)16-20-8-6-14-30-20)28-12-10-27(11-13-28)21-9-5-7-18(3)19(21)4/h5-9,14,17,22H,10-13,15-16H2,1-4H3/p+1/t22-/m1/s1