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

Systemtic Name: 1-methyl-4-[(1S)-1-(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)butyl]piperazin-1-ium Openeye Name: 1-[(1S)-1-(1-isopropyltetrazol-5-yl)butyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[(1S)-1-(1-propan-2-yl-5-tetrazolyl)butyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(1S)-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazin-1-ium Traditional Name: 1-[(1S)-1-(1-isopropyltetrazol-5-yl)butyl]-4-methyl-piperazin-4-ium Formula: C13H27N6+ MolecularWeight: 267.39368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1C(C)C)N2CC[NH+](CC2)C

Isomeric SMILES

CCC[C@@H](C1=NN=NN1C(C)C)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H26N6/c1-5-6-12(18-9-7-17(4)8-10-18)13-14-15-16-19(13)11(2)3/h11-12H,5-10H2,1-4H3/p+1/t12-/m0/s1