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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCN3CCCCCC3=O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCN3CCCCCC3=O

InChI

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