5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one

Systemtic Name: 5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-oxo-2-pyrrolidin-1-yl-ethoxy)pyran-4-one CAS Name: 5-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-keto-2-pyrrolidino-ethoxy)pyran-4-one Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4/c27-21-14-20(29-17-22(21)30-18-23(28)26-8-4-5-9-26)16-25-12-10-24(11-13-25)15-19-6-2-1-3-7-19/h1-3,6-7,14,17H,4-5,8-13,15-16,18H2/p+1