1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(5-ethylsulfonyl-2-oxidanyl-phenyl)urea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(5-ethylsulfonyl-2-oxidanyl-phenyl)urea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(5-ethylsulfonyl-2-hydroxy-phenyl)urea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-(5-ethylsulfonyl-2-hydroxyphenyl)urea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-(5-esyl-2-hydroxy-phenyl)urea Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-2-30(28,29)18-7-8-20(26)19(13-18)24-21(27)23-17-9-11-25(12-10-17)14-15-3-5-16(22)6-4-15/h3-8,13,17,26H,2,9-12,14H2,1H3,(H2,23,24,27)/p+1