1-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C20H32N6O2S+2 MolecularWeight: 420.57208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H30N6O2S/c1-17-20(29(27,28)25-10-6-3-7-11-25)18(2)26(22-17)16-23-12-14-24(15-13-23)19-8-4-5-9-21-19/h4-5,8-9H,3,6-7,10-16H2,1-2H3/p+2