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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[3-(2-oxoazepan-1-yl)propyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[3-(2-oxo-1-azepanyl)propyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[3-(2-oxoazepan-1-yl)propyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[3-(2-ketoazepan-1-yl)propyl]ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCCN3CCCCCC3=O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCCN3CCCCCC3=O)O

InChI

InChI=1S/C21H28N2O4/c1-2-15-11-17-16(12-21(26)27-19(17)13-18(15)24)14-22-8-6-10-23-9-5-3-4-7-20(23)25/h11-13,22,24H,2-10,14H2,1H3/p+1