(3S)-1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium

Systemtic Name: (3S)-1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Openeye Name: (3S)-1-[(6-chloro-4-oxo-chromen-3-yl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium CAS Name: (3S)-1-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium IUPAC Name: (3S)-1-[(6-chloro-4-oxochromen-3-yl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Traditional Name: (3S)-1-[(6-chloro-4-keto-chromen-3-yl)methyl]-3-[(dimethylsulfamoylamino)methyl]piperidin-1-ium Formula: C18H25ClN3O4S+ MolecularWeight: 414.9268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1CCC[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)NC[C@H]1CCC[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN3O4S/c1-21(2)27(24,25)20-9-13-4-3-7-22(10-13)11-14-12-26-17-6-5-15(19)8-16(17)18(14)23/h5-6,8,12-13,20H,3-4,7,9-11H2,1-2H3/p+1/t13-/m1/s1