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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

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