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

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-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-(3-methylphenyl)acetamide Traditional Name: 2-[6-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-keto-pyran-3-yl]oxy-N-(m-tolyl)acetamide Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-20-6-5-9-22(14-20)27-26(31)19-33-25-18-32-23(15-24(25)30)17-29-12-10-28(11-13-29)16-21-7-3-2-4-8-21/h2-9,14-15,18H,10-13,16-17,19H2,1H3,(H,27,31)/p+1