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

Systemtic Name: (4-azanyl-2-chloranyl-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-amino-2-chloro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-amino-2-chlorophenyl)-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-amino-2-chlorophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-amino-2-chloro-phenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H18ClN3O2S MolecularWeight: 303.80822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN3O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9H,2-4,7,14H2,1H3/q-1/p+1/t9-/m0/s1