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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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