1-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]-4-prop-2-enyl-piperazine-1,4-diium

Systemtic Name: 1-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]-4-prop-2-enyl-piperazine-1,4-diium Openeye Name: 1-allyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazine-1,4-diium CAS Name: 1-[(1R)-1-(1-phenethyl-5-tetrazolyl)butyl]-4-prop-2-enylpiperazine-1,4-diium IUPAC Name: 1-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]-4-prop-2-enylpiperazine-1,4-diium Traditional Name: 1-allyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazine-1,4-diium Formula: C20H32N6+2 MolecularWeight: 356.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC=C

Isomeric SMILES

CCC[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC=C

InChI

InChI=1S/C20H30N6/c1-3-8-19(25-16-14-24(12-4-2)15-17-25)20-21-22-23-26(20)13-11-18-9-6-5-7-10-18/h4-7,9-10,19H,2-3,8,11-17H2,1H3/p+2/t19-/m1/s1