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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C22H28N2O3+2 MolecularWeight: 368.46932

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+]4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CO3)[NH+]4CCCC4)C

InChI

InChI=1S/C22H26N2O3/c1-15-10-18-17(12-22(25)27-21(18)11-16(15)2)13-23-14-19(20-6-5-9-26-20)24-7-3-4-8-24/h5-6,9-12,19,23H,3-4,7-8,13-14H2,1-2H3/p+2/t19-/m1/s1