3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]propanamide

Systemtic Name: 3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]propanamide Openeye Name: 3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]propanamide CAS Name: 3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-N-[[1-(4-methyl-1-piperazin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]propanamide Traditional Name: 3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]propionamide Formula: C25H36N3O4+ MolecularWeight: 442.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC3(CCCCC3)[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC3(CCCCC3)[NH+]4CCN(CC4)C

InChI

InChI=1S/C25H35N3O4/c1-18-20-7-6-19(29)16-22(20)32-24(31)21(18)8-9-23(30)26-17-25(10-4-3-5-11-25)28-14-12-27(2)13-15-28/h6-7,16,29H,3-5,8-15,17H2,1-2H3,(H,26,30)/p+1