1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one

Systemtic Name: 1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one Openeye Name: 1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one CAS Name: 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-butanone IUPAC Name: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O3/c28-20(10-6-9-19-23-22(24-30-19)18-7-2-1-3-8-18)27-15-13-25(14-16-27)17-21(29)26-11-4-5-12-26/h1-3,7-8H,4-6,9-17H2/p+1