1-(phenylmethyl)sulfonyl-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-isopropyl-piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-isopropyl-piperazin-4-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H22N2O2S/c1-13(2)15-8-10-16(11-9-15)19(17,18)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3/p+1