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

Systemtic Name: (3-azanyl-4-chloranyl-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (3-amino-4-chloro-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (3-amino-4-chlorophenyl)-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (3-amino-4-chlorophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (3-amino-4-chloro-phenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C12H18ClN3O2S MolecularWeight: 303.80822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN3O2S/c1-9-3-2-6-16(8-9)19(17,18)15-10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8,14H2,1H3/q-1/p+1/t9-/m0/s1