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

Systemtic Name: 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine-1,4-diium Openeye Name: 1-allyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazine-1,4-diium CAS Name: 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-tetrazolyl]methyl]-4-prop-2-enylpiperazine-1,4-diium IUPAC Name: 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine-1,4-diium Traditional Name: 1-allyl-4-[(1-homoveratryltetrazol-5-yl)methyl]piperazine-1,4-diium Formula: C19H30N6O2+2 MolecularWeight: 374.4805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NN=N2)C[NH+]3CC[NH+](CC3)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NN=N2)C[NH+]3CC[NH+](CC3)CC=C)OC

InChI

InChI=1S/C19H28N6O2/c1-4-8-23-10-12-24(13-11-23)15-19-20-21-22-25(19)9-7-16-5-6-17(26-2)18(14-16)27-3/h4-6,14H,1,7-13,15H2,2-3H3/p+2