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

Systemtic Name: 1-methyl-4-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(1R)-1-(1-phenethyl-5-tetrazolyl)butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)butyl]piperazine-1,4-diium Formula: C18H30N6+2 MolecularWeight: 330.471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6/c1-3-7-17(23-14-12-22(2)13-15-23)18-19-20-21-24(18)11-10-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-15H2,1-2H3/p+2/t17-/m1/s1