1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C23H25N2O4S+ MolecularWeight: 425.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H24N2O4S/c26-30(27,21-10-9-18-5-1-2-6-19(18)15-21)25-13-11-24(12-14-25)16-20-17-28-22-7-3-4-8-23(22)29-20/h1-10,15,20H,11-14,16-17H2/p+1/t20-/m0/s1