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

Systemtic Name: 2-[4-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H30N7O2S+ MolecularWeight: 420.5522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=NC=CC=N3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=NC=CC=N3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H29N7O2S/c1-16-18(29(27,28)25-9-4-3-5-10-25)17(2)26(22-16)15-23-11-13-24(14-12-23)19-20-7-6-8-21-19/h6-8H,3-5,9-15H2,1-2H3/p+1