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

Systemtic Name: 1-methyl-4-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(1R)-1-(1-phenethyl-5-tetrazolyl)propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]piperazine-1,4-diium Formula: C17H28N6+2 MolecularWeight: 316.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6/c1-3-16(22-13-11-21(2)12-14-22)17-18-19-20-23(17)10-9-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3/p+2/t16-/m1/s1