3-[4-oxidanylidene-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-oxidanylidene-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-oxo-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butyl]-1,3-benzoxazol-2-one Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H28N4O4/c26-19(8-5-11-25-17-6-1-2-7-18(17)29-21(25)28)24-14-12-22(13-15-24)16-20(27)23-9-3-4-10-23/h1-2,6-7H,3-5,8-16H2/p+1