dimethyl-[1-[[(6-methyl-4-oxidanylidene-chromen-2-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(6-methyl-4-oxidanylidene-chromen-2-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(6-methyl-4-oxo-chromene-2-carbonyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[(6-methyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(6-methyl-4-oxochromene-2-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[(4-keto-6-methyl-chromene-2-carbonyl)amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C21H28N2O3/c1-15-8-9-18-16(12-15)17(24)13-19(26-18)20(25)22-14-21(23(2)3)10-6-4-5-7-11-21/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,22,25)/p+1