2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O3S/c22-25(23,15-6-2-1-3-7-15)21-12-10-20(11-13-21)14-18-19-16-8-4-5-9-17(16)24-18/h1-9H,10-14H2/p+1