N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide

Systemtic Name: N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide Openeye Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide Traditional Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-N-mesityl-methanesulfonamide Formula: C17H30N3O3S+ MolecularWeight: 356.5034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(CC(CN2CC[NH2+]CC2)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C[C@@H](CN2CC[NH2+]CC2)O)S(=O)(=O)C)C

InChI

InChI=1S/C17H29N3O3S/c1-13-9-14(2)17(15(3)10-13)20(24(4,22)23)12-16(21)11-19-7-5-18-6-8-19/h9-10,16,18,21H,5-8,11-12H2,1-4H3/p+1/t16-/m1/s1