(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-phenethyl-azanium

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-phenethyl-azanium Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl-phenethyl-ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-phenethylammonium IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-phenethylazanium Traditional Name: (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl-phenethyl-ammonium Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H25NO2/c1-15(2)19-13-20-18(12-22(24)25-21(20)11-16(19)3)14-23-10-9-17-7-5-4-6-8-17/h4-8,11-13,15,23H,9-10,14H2,1-3H3/p+1