N,N-dimethyl-4-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CN(C)S(=O)(=O)N1CC[NH+](CC1)C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H29N3O4S/c1-22(2)29(26,27)24-14-12-23(13-15-24)16-20(25)17-28-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-11,20,25H,12-17H2,1-2H3/p+1/t20-/m1/s1