1-(4-propylphenyl)sulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-propylphenyl)sulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-propylphenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(4-propylphenyl)sulfonyl-4-[(1-propyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-propylphenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-propylphenyl)sulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C18H29N6O2S+ MolecularWeight: 393.52686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=NN3CCC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=NN3CCC

InChI

InChI=1S/C18H28N6O2S/c1-3-5-16-6-8-17(9-7-16)27(25,26)23-13-11-22(12-14-23)15-18-19-20-21-24(18)10-4-2/h6-9H,3-5,10-15H2,1-2H3/p+1