[4-(azaniumylmethyl)-1-methyl-piperidin-1-ium-4-yl]-pyridin-3-ylsulfonyl-azanide

Systemtic Name: [4-(azaniumylmethyl)-1-methyl-piperidin-1-ium-4-yl]-pyridin-3-ylsulfonyl-azanide Openeye Name: [4-(azaniumylmethyl)-1-methyl-piperidin-1-ium-4-yl]-(3-pyridylsulfonyl)azanide CAS Name: [4-(ammoniomethyl)-1-methyl-4-piperidin-1-iumyl]-(3-pyridinylsulfonyl)azanide IUPAC Name: [4-(azaniumylmethyl)-1-methylpiperidin-1-ium-4-yl]-pyridin-3-ylsulfonylazanide Traditional Name: [4-(ammoniomethyl)-1-methyl-piperidin-1-ium-4-yl]-(3-pyridylsulfonyl)azanide Formula: C12H21N4O2S+ MolecularWeight: 285.38574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C[NH3+])[N-]S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

C[NH+]1CCC(CC1)(C[NH3+])[N-]S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H19N4O2S/c1-16-7-4-12(10-13,5-8-16)15-19(17,18)11-3-2-6-14-9-11/h2-3,6,9H,4-5,7-8,10,13H2,1H3/q-1/p+2