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

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenoxyphenyl)methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenoxyphenyl)methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[(3-phenoxyphenyl)methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(3-phenoxyphenyl)methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-(3-phenoxybenzyl)ammonium Formula: C20H28N2O+2 MolecularWeight: 312.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-21-13-11-18(12-14-21)22(2)16-17-7-6-10-20(15-17)23-19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3/p+2