N,N-diethyl-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-ethanamide

Systemtic Name: N,N-diethyl-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-ethanamide Openeye Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-N,N-diethyl-acetamide CAS Name: N,N-diethyl-2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyranyl]oxy]acetamide IUPAC Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-yl]oxy-N,N-diethylacetamide Traditional Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N,N-diethyl-acetamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c1-3-26(4-2)23(28)18-30-22-17-29-20(14-21(22)27)16-25-12-10-24(11-13-25)15-19-8-6-5-7-9-19/h5-9,14,17H,3-4,10-13,15-16,18H2,1-2H3/p+1