2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyran-3-yl]oxy-N-propyl-ethanamide

Systemtic Name: 2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]pyran-3-yl]oxy-N-propyl-ethanamide Openeye Name: 2-[6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-N-propyl-acetamide CAS Name: 2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-pyranyl]oxy]-N-propylacetamide IUPAC Name: 2-[6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-propylacetamide Traditional Name: 2-[6-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N-propyl-acetamide Formula: C22H31N3O4+2 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-2-8-23-22(27)17-29-21-16-28-19(13-20(21)26)15-25-11-9-24(10-12-25)14-18-6-4-3-5-7-18/h3-7,13,16H,2,8-12,14-15,17H2,1H3,(H,23,27)/p+2