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

Systemtic Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-3H-1,3-benzoxazol-2-one Formula: C16H17N4O4S+ MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

InChI

InChI=1S/C16H16N4O4S/c21-16-18-13-5-4-12(11-14(13)24-16)25(22,23)20-9-7-19(8-10-20)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H,18,21)/p+1