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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C22H27ClN2O3+2 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C3=CC=CO3)[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](C3=CC=CO3)[NH+]4CCCCC4)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-15-10-21-17(12-18(15)23)16(11-22(26)28-21)13-24-14-19(20-6-5-9-27-20)25-7-3-2-4-8-25/h5-6,9-12,19,24H,2-4,7-8,13-14H2,1H3/p+2/t19-/m1/s1