cyclopropyl-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: cyclopropyl-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: cyclopropyl-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: cyclopropyl-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: cyclopropyl-[(6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: cyclopropyl-[(6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+](CC3=CN=CC=C3)C4CC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+](CC3=CN=CC=C3)C4CC4)O

InChI

InChI=1S/C22H24N2O3/c1-3-16-10-18-14(2)9-20(25)27-22(18)19(21(16)26)13-24(17-6-7-17)12-15-5-4-8-23-11-15/h4-5,8-11,17,26H,3,6-7,12-13H2,1-2H3/p+1