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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O2S/c1-4-9-24-18(19-20-21-24)14-22-10-12-23(13-11-22)27(25,26)17-7-5-16(6-8-17)15(2)3/h5-8,15H,4,9-14H2,1-3H3/p+1