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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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