dimethyl-[1-[[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C22H30N2O4/c1-16-12-21(26)28-19-13-17(8-9-18(16)19)27-14-20(25)23-15-22(24(2)3)10-6-4-5-7-11-22/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3,(H,23,25)/p+1