1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C14H20N5O2S+ MolecularWeight: 322.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C14H19N5O2S/c1-12-13(11-17(2)16-12)22(20,21)19-9-7-18(8-10-19)14-5-3-4-6-15-14/h3-6,11H,7-10H2,1-2H3/p+1