[(1S)-1-(3-methoxyphenyl)-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylazaniumyl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylazaniumyl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylammonio]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylazaniumyl]ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C25H34N2O3+2 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](C3=CC(=CC=C3)OC)[NH+](C)C)C(C)C

InChI

InChI=1S/C25H32N2O3/c1-16(2)21-13-22-19(12-25(28)30-24(22)10-17(21)3)14-26-15-23(27(4)5)18-8-7-9-20(11-18)29-6/h7-13,16,23,26H,14-15H2,1-6H3/p+2/t23-/m1/s1