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

Systemtic Name: N-(2-methoxyethyl)-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-(2-methoxyethyl)acetamide CAS Name: N-(2-methoxyethyl)-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-(2-methoxyethyl)acetamide Traditional Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N-(2-methoxyethyl)acetamide Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-28-12-7-23-22(27)17-30-21-16-29-19(13-20(21)26)15-25-10-8-24(9-11-25)14-18-5-3-2-4-6-18/h2-6,13,16H,7-12,14-15,17H2,1H3,(H,23,27)/p+1