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

Systemtic Name: (4-methoxy-3-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (3-benzyloxy-4-methoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (4-methoxy-3-phenylmethoxyphenyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (4-methoxy-3-phenylmethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (3-benzoxy-4-methoxy-benzyl)-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H30N2O3+2 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC[NH+]2CCOCC2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC[NH+]2CCOCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3/c1-24-20-8-7-19(16-22-9-10-23-11-13-25-14-12-23)15-21(20)26-17-18-5-3-2-4-6-18/h2-8,15,22H,9-14,16-17H2,1H3/p+2