2-[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)acetic acid CAS Name: 2-[4-(diphenylmethyl)oxy-1-methyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-(4-benzhydryloxy-1-methylpiperidin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)acetic acid Formula: C21H26NO3+ MolecularWeight: 340.43604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C[N+]1(CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H25NO3/c1-22(16-20(23)24)14-12-19(13-15-22)25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3/p+1