methyl 4-[[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-yl]oxymethyl]benzoate CAS Name: 4-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyranyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-yl]oxymethyl]benzoate Traditional Name: 4-[[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxymethyl]benzoic acid methyl ester Formula: C26H29N2O5+ MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5/c1-31-26(30)22-9-7-21(8-10-22)18-33-25-19-32-23(15-24(25)29)17-28-13-11-27(12-14-28)16-20-5-3-2-4-6-20/h2-10,15,19H,11-14,16-18H2,1H3/p+1