(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C23H30N2O3+2 MolecularWeight: 382.4959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CO3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CO3)[NH+]4CCCCC4)C

InChI

InChI=1S/C23H28N2O3/c1-16-11-19-18(13-23(26)28-22(19)12-17(16)2)14-24-15-20(21-7-6-10-27-21)25-8-4-3-5-9-25/h6-7,10-13,20,24H,3-5,8-9,14-15H2,1-2H3/p+2/t20-/m1/s1