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

Systemtic Name: 2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-3-yl]oxy-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-acetamide CAS Name: 2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyranyl]oxy]-N-prop-2-enylacetamide IUPAC Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/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/h2-7,13,16H,1,8-12,14-15,17H2,(H,23,27)/p+1