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

Systemtic Name: 1-[(S)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine-1,4-diium Openeye Name: 1-allyl-4-[(S)-(2,3-dimethoxyphenyl)-(1-isopentyltetrazol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(S)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)-5-tetrazolyl]methyl]-4-prop-2-enylpiperazine-1,4-diium IUPAC Name: 1-[(S)-(2,3-dimethoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine-1,4-diium Traditional Name: 1-allyl-4-[(S)-(2,3-dimethoxyphenyl)-(1-isoamyltetrazol-5-yl)methyl]piperazine-1,4-diium Formula: C22H36N6O2+2 MolecularWeight: 416.56024

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O2/c1-6-11-26-13-15-27(16-14-26)20(18-8-7-9-19(29-4)21(18)30-5)22-23-24-25-28(22)12-10-17(2)3/h6-9,17,20H,1,10-16H2,2-5H3/p+2/t20-/m0/s1