N-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonamide Openeye Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide CAS Name: N-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide Traditional Name: N-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]methyl]-2-keto-3H-1,3-benzoxazole-6-sulfonamide Formula: C20H23ClN3O4S+ MolecularWeight: 436.93232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN3O4S/c21-16-3-1-15(2-4-16)13-24-9-7-14(8-10-24)12-22-29(26,27)17-5-6-18-19(11-17)28-20(25)23-18/h1-6,11,14,22H,7-10,12-13H2,(H,23,25)/p+1