[(1S)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C23H30N2O3+2 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC(=CC=C3)OC)[NH+](C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC(=CC=C3)OC)[NH+](C)C)C

InChI

InChI=1S/C23H28N2O3/c1-15-9-10-20-18(12-22(26)28-23(20)16(15)2)13-24-14-21(25(3)4)17-7-6-8-19(11-17)27-5/h6-12,21,24H,13-14H2,1-5H3/p+2/t21-/m1/s1