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

Systemtic Name: 1-[(S)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(S)-(2,3-dimethoxyphenyl)-(1-isopentyltetrazol-5-yl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(S)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)-5-tetrazolyl]methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(S)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(S)-(2,3-dimethoxyphenyl)-(1-isoamyltetrazol-5-yl)methyl]-4-methyl-piperazine-1,4-diium Formula: C20H34N6O2+2 MolecularWeight: 390.52296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N6O2/c1-15(2)9-10-26-20(21-22-23-26)18(25-13-11-24(3)12-14-25)16-7-6-8-17(27-4)19(16)28-5/h6-8,15,18H,9-14H2,1-5H3/p+2/t18-/m0/s1