[2-(azaniumylmethyl)phenyl]-(4-methylpiperidin-1-ium-1-yl)sulfonyl-azanide

Systemtic Name: [2-(azaniumylmethyl)phenyl]-(4-methylpiperidin-1-ium-1-yl)sulfonyl-azanide Openeye Name: [2-(azaniumylmethyl)phenyl]-(4-methylpiperidin-1-ium-1-yl)sulfonyl-azanide CAS Name: [2-(ammoniomethyl)phenyl]-[(4-methyl-1-piperidin-1-iumyl)sulfonyl]azanide IUPAC Name: [2-(azaniumylmethyl)phenyl]-(4-methylpiperidin-1-ium-1-yl)sulfonylazanide Traditional Name: [2-(ammoniomethyl)phenyl]-(4-methylpiperidin-1-ium-1-yl)sulfonyl-azanide Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)S(=O)(=O)[N-]C2=CC=CC=C2C[NH3+]

Isomeric SMILES

CC1CC[NH+](CC1)S(=O)(=O)[N-]C2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C13H20N3O2S/c1-11-6-8-16(9-7-11)19(17,18)15-13-5-3-2-4-12(13)10-14/h2-5,11H,6-10,14H2,1H3/q-1/p+2