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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-ethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-ethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-ethyl-2-keto-chromen-4-yl)methyl]ammonium Formula: C24H30N2O2+2 MolecularWeight: 378.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2/c1-2-18-8-9-22-20(15-24(27)28-23(22)14-18)16-25-21-10-12-26(13-11-21)17-19-6-4-3-5-7-19/h3-9,14-15,21,25H,2,10-13,16-17H2,1H3/p+2