(3-methoxy-4-propoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3-methoxy-4-propoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (3-methoxy-4-propoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (3-methoxy-4-propoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-propoxyphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (3-methoxy-4-propoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C21H25F3N3O3+ MolecularWeight: 424.43671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H24F3N3O3/c1-3-12-30-17-6-4-15(13-18(17)29-2)20(28)27-10-8-26(9-11-27)19-7-5-16(14-25-19)21(22,23)24/h4-7,13-14H,3,8-12H2,1-2H3/p+1