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

Systemtic Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C19H27N4O5S+ MolecularWeight: 423.50648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C19H26N4O5S/c1-20-10-12-21(13-11-20)18(24)6-9-23-16-5-4-15(14-17(16)28-19(23)25)29(26,27)22-7-2-3-8-22/h4-5,14H,2-3,6-13H2,1H3/p+1