(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C22H31ClN2O3+2 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN2O3/c1-2-27-21-15-19(16-24-8-9-25-10-12-26-13-11-25)14-20(23)22(21)28-17-18-6-4-3-5-7-18/h3-7,14-15,24H,2,8-13,16-17H2,1H3/p+2