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

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-[(1-propyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C16H25N6O2S+ MolecularWeight: 365.4737

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=N1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H24N6O2S/c1-2-8-22-16(17-18-19-22)13-20-9-11-21(12-10-20)25(23,24)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/p+1