[3-(4-chloranylphenoxy)phenyl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-(4-chloranylphenoxy)phenyl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(4-chlorophenoxy)phenyl]methyl-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(4-chlorophenoxy)phenyl]methyl-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(4-chlorophenoxy)phenyl]methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(4-chlorophenoxy)benzyl]-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C20H27ClN2O+2 MolecularWeight: 346.89418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O/c1-2-23-12-10-18(11-13-23)22-15-16-4-3-5-20(14-16)24-19-8-6-17(21)7-9-19/h3-9,14,18,22H,2,10-13,15H2,1H3/p+2