3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C23H28N5O5S+ MolecularWeight: 486.56392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H27N5O5S/c29-22(26-15-13-25(14-16-26)21-5-1-2-9-24-21)8-12-28-19-7-6-18(17-20(19)33-23(28)30)34(31,32)27-10-3-4-11-27/h1-2,5-7,9,17H,3-4,8,10-16H2/p+1