(2-azanyl-4-methoxy-phenyl)-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (2-azanyl-4-methoxy-phenyl)-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (2-amino-4-methoxy-phenyl)-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (2-amino-4-methoxyphenyl)-[[(2R)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (2-amino-4-methoxyphenyl)-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (2-amino-4-methoxy-phenyl)-[(2R)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=C(C=C2)OC)N

Isomeric SMILES

C[C@@H]1CCCC[NH+]1S(=O)(=O)[N-]C2=C(C=C(C=C2)OC)N

InChI

InChI=1S/C13H20N3O3S/c1-10-5-3-4-8-16(10)20(17,18)15-13-7-6-11(19-2)9-12(13)14/h6-7,9-10H,3-5,8,14H2,1-2H3/q-1/p+1/t10-/m1/s1