4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-(4-p-anisylpiperazin-4-ium-1-yl)sulfonylbenzofurazan Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C18H20N4O4S/c1-25-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)27(23,24)17-4-2-3-16-18(17)20-26-19-16/h2-8H,9-13H2,1H3/p+1