(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methoxyethyl)-(phenylmethyl)azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methoxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-(2-methoxyethyl)ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-(2-methoxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-(2-methoxyethyl)azanium Traditional Name: benzyl-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-(2-methoxyethyl)ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CCOC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CCOC)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO3/c1-16-11-20-19(13-22(24)26-21(20)12-17(16)2)15-23(9-10-25-3)14-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3/p+1