2-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-phenylanthranil-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3/c29-22(27-10-4-5-11-27)17-26-12-14-28(15-13-26)24(30)19-8-9-21-20(16-19)23(31-25-21)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2/p+1