(4-methoxy-3-phenylmethoxy-phenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: (4-methoxy-3-phenylmethoxy-phenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: (3-benzyloxy-4-methoxy-phenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: (4-methoxy-3-phenylmethoxyphenyl)methyl-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (4-methoxy-3-phenylmethoxyphenyl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: (3-benzoxy-4-methoxy-benzyl)-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C21H30N2O2+2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC[NH+]2CCCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC[NH+]2CCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2/c1-24-20-10-9-19(16-22-11-14-23-12-5-6-13-23)15-21(20)25-17-18-7-3-2-4-8-18/h2-4,7-10,15,22H,5-6,11-14,16-17H2,1H3/p+2