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

Systemtic Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(1-methyl-4-imidazolyl)sulfonyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C13H18N5O2S+ MolecularWeight: 308.37932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H17N5O2S/c1-16-10-13(15-11-16)21(19,20)18-8-6-17(7-9-18)12-4-2-3-5-14-12/h2-5,10-11H,6-9H2,1H3/p+1