1-cyclohexyl-4-[(1S)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperazin-1-ium

Systemtic Name: 1-cyclohexyl-4-[(1S)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)butyl]piperazin-1-ium Openeye Name: 1-cyclohexyl-4-[(1S)-1-(1-phenethyltetrazol-5-yl)butyl]piperazin-1-ium CAS Name: 1-cyclohexyl-4-[(1S)-1-(1-phenethyl-5-tetrazolyl)butyl]piperazin-1-ium IUPAC Name: 1-cyclohexyl-4-[(1S)-1-(1-phenethyltetrazol-5-yl)butyl]piperazin-1-ium Traditional Name: 1-cyclohexyl-4-[(1S)-1-(1-phenethyltetrazol-5-yl)butyl]piperazin-1-ium Formula: C23H37N6+ MolecularWeight: 397.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CCC2=CC=CC=C2)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCC[C@@H](C1=NN=NN1CCC2=CC=CC=C2)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C23H36N6/c1-2-9-22(28-18-16-27(17-19-28)21-12-7-4-8-13-21)23-24-25-26-29(23)15-14-20-10-5-3-6-11-20/h3,5-6,10-11,21-22H,2,4,7-9,12-19H2,1H3/p+1/t22-/m0/s1