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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C25H32N2O4+2 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C25H30N2O4/c1-29-20-8-6-18(7-9-20)23(27-12-4-3-5-13-27)17-26-16-19-14-25(28)31-24-15-21(30-2)10-11-22(19)24/h6-11,14-15,23,26H,3-5,12-13,16-17H2,1-2H3/p+2/t23-/m0/s1