4-methyl-N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2R)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]-4-methyl-benzenesulfonamide Formula: C14H24N3O3S+ MolecularWeight: 314.42366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3S/c1-12-2-4-14(5-3-12)21(19,20)16-10-13(18)11-17-8-6-15-7-9-17/h2-5,13,15-16,18H,6-11H2,1H3/p+1/t13-/m0/s1