(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(2-hydroxyethylamino)ethyl]azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(2-hydroxyethylamino)ethyl]azanium Openeye Name: (4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl-[2-(2-hydroxyethylamino)ethyl]ammonium CAS Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(2-hydroxyethylamino)ethyl]ammonium IUPAC Name: (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(2-hydroxyethylamino)ethyl]azanium Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-[2-(2-hydroxyethylamino)ethyl]ammonium Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCNCCO)Cl)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCNCCO)Cl)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27ClN2O3/c1-2-25-19-13-17(14-23-9-8-22-10-11-24)12-18(21)20(19)26-15-16-6-4-3-5-7-16/h3-7,12-13,22-24H,2,8-11,14-15H2,1H3/p+1