4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-oxidanyl-propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(2R)-2-hydroxy-3-indan-5-yloxy-propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(2R)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(2R)-2-hydroxy-3-indan-5-yloxy-propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC(COC2=CC3=C(CCC3)C=C2)O

Isomeric SMILES

CN(C)S(=O)(=O)N1CC[NH+](CC1)C[C@H](COC2=CC3=C(CCC3)C=C2)O

InChI

InChI=1S/C18H29N3O4S/c1-19(2)26(23,24)21-10-8-20(9-11-21)13-17(22)14-25-18-7-6-15-4-3-5-16(15)12-18/h6-7,12,17,22H,3-5,8-11,13-14H2,1-2H3/p+1/t17-/m1/s1