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

Systemtic Name: (4-azanyl-2-methyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-amino-2-methyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-amino-2-methylphenyl)-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-amino-2-methylphenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-amino-2-methyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N3O2S/c1-10-4-3-7-16(9-10)19(17,18)15-13-6-5-12(14)8-11(13)2/h5-6,8,10H,3-4,7,9,14H2,1-2H3/q-1/p+1/t10-/m0/s1