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

Systemtic Name: 1-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]-4-prop-2-enyl-piperazine-1,4-diium Openeye Name: 1-allyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazine-1,4-diium CAS Name: 1-[(1R)-1-(1-phenethyl-5-tetrazolyl)propyl]-4-prop-2-enylpiperazine-1,4-diium IUPAC Name: 1-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]-4-prop-2-enylpiperazine-1,4-diium Traditional Name: 1-allyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazine-1,4-diium Formula: C19H30N6+2 MolecularWeight: 342.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6/c1-3-11-23-13-15-24(16-14-23)18(4-2)19-20-21-22-25(19)12-10-17-8-6-5-7-9-17/h3,5-9,18H,1,4,10-16H2,2H3/p+2/t18-/m1/s1