6-(4-propylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-(4-propylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-(4-propylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-(4-propylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-(4-propylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Formula: C14H20N3O4S+ MolecularWeight: 326.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

InChI

InChI=1S/C14H19N3O4S/c1-2-5-16-6-8-17(9-7-16)22(19,20)11-3-4-12-13(10-11)21-14(18)15-12/h3-4,10H,2,5-9H2,1H3,(H,15,18)/p+1