(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-[3-(2-oxoazepan-1-yl)propyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[3-(2-oxo-1-azepanyl)propyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[3-(2-oxoazepan-1-yl)propyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-[3-(2-ketoazepan-1-yl)propyl]ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCCN3CCCCCC3=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCCN3CCCCCC3=O)O

InChI

InChI=1S/C20H26N2O4/c1-14-17(23)8-7-16-15(12-19(25)26-20(14)16)13-21-9-5-11-22-10-4-2-3-6-18(22)24/h7-8,12,21,23H,2-6,9-11,13H2,1H3/p+1