(3S)-1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium

Systemtic Name: (3S)-1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Openeye Name: (3S)-1-[(3-chloro-4-hydroxy-phenyl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium CAS Name: (3S)-1-[(3-chloro-4-hydroxyphenyl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium IUPAC Name: (3S)-1-[(3-chloro-4-hydroxyphenyl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Traditional Name: (3S)-1-(3-chloro-4-hydroxy-benzyl)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Formula: C15H25ClN3O3S+ MolecularWeight: 362.8953

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1CCC[NH+](C1)CC2=CC(=C(C=C2)O)Cl

Isomeric SMILES

CN(C)S(=O)(=O)NC[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)O)Cl

InChI

InChI=1S/C15H24ClN3O3S/c1-18(2)23(21,22)17-9-13-4-3-7-19(11-13)10-12-5-6-15(20)14(16)8-12/h5-6,8,13,17,20H,3-4,7,9-11H2,1-2H3/p+1/t13-/m1/s1