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

Systemtic Name: 1-[(1R)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]-4-phenyl-piperazine-1,4-diium Openeye Name: 1-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]-4-phenyl-piperazine-1,4-diium CAS Name: 1-[(1R)-1-(1-phenethyl-5-tetrazolyl)propyl]-4-phenylpiperazine-1,4-diium IUPAC Name: 1-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]-4-phenylpiperazine-1,4-diium Traditional Name: 1-[(1R)-1-(1-phenethyltetrazol-5-yl)propyl]-4-phenyl-piperazine-1,4-diium Formula: C22H30N6+2 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C1=NN=NN1CCC2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N6/c1-2-21(27-17-15-26(16-18-27)20-11-7-4-8-12-20)22-23-24-25-28(22)14-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+2/t21-/m1/s1