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

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

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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+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

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