6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C18H19N3O4S/c22-18-19-16-7-6-15(12-17(16)25-18)26(23,24)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,19,22)/p+1