1-(1-ethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(1-ethyl-4-pyrazolyl)sulfonyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(1-ethylpyrazol-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:

CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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