(2-azanyl-4-methoxy-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (2-azanyl-4-methoxy-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (2-amino-4-methoxy-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (2-amino-4-methoxyphenyl)-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (2-amino-4-methoxyphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (2-amino-4-methoxy-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)OC)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)[N-]C2=C(C=C(C=C2)OC)N

InChI

InChI=1S/C13H20N3O3S/c1-10-4-3-7-16(9-10)20(17,18)15-13-6-5-11(19-2)8-12(13)14/h5-6,8,10H,3-4,7,9,14H2,1-2H3/q-1/p+1/t10-/m0/s1