1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(S)-(2-fluorophenyl)-(1-isopentyltetrazol-5-yl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)-5-tetrazolyl]methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(S)-(2-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(S)-(2-fluorophenyl)-(1-isoamyltetrazol-5-yl)methyl]-4-methyl-piperazine-1,4-diium Formula: C18H29FN6+2 MolecularWeight: 348.461463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=N1)C(C2=CC=CC=C2F)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CCN1C(=NN=N1)[C@H](C2=CC=CC=C2F)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H27FN6/c1-14(2)8-9-25-18(20-21-22-25)17(15-6-4-5-7-16(15)19)24-12-10-23(3)11-13-24/h4-7,14,17H,8-13H2,1-3H3/p+2/t17-/m0/s1