4-[2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxyethanoylamino]benzamide

Systemtic Name: 4-[2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxyethanoylamino]benzamide Openeye Name: 4-[[2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-yl]oxyacetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyranyl]oxy]ethyl]amino]benzamide IUPAC Name: 4-[[2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-yl]oxyacetyl]amino]benzamide Traditional Name: 4-[[2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxyacetyl]amino]benzamide Formula: C26H29N4O5+ MolecularWeight: 477.53226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)NC3=CC=C(C=C3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)NC3=CC=C(C=C3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O5/c27-26(33)20-6-8-21(9-7-20)28-25(32)18-35-24-17-34-22(14-23(24)31)16-30-12-10-29(11-13-30)15-19-4-2-1-3-5-19/h1-9,14,17H,10-13,15-16,18H2,(H2,27,33)(H,28,32)/p+1