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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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