[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(difluoromethoxy)-3-ethoxy-phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-(difluoromethoxy)-3-ethoxyphenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(difluoromethoxy)-3-ethoxyphenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(difluoromethoxy)-3-ethoxy-phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C19H22F2N3O3+ MolecularWeight: 378.393086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OC(F)F

InChI

InChI=1S/C19H21F2N3O3/c1-2-26-17-13-14(3-4-16(17)27-19(20)21)18(25)24-11-9-23(10-12-24)15-5-7-22-8-6-15/h3-8,13,19H,2,9-12H2,1H3/p+1