(4-butoxy-3-chloranyl-5-ethoxy-phenyl)methyl-phenethyl-azanium

Systemtic Name: (4-butoxy-3-chloranyl-5-ethoxy-phenyl)methyl-phenethyl-azanium Openeye Name: (4-butoxy-3-chloro-5-ethoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (4-butoxy-3-chloro-5-ethoxyphenyl)methyl-phenethylammonium IUPAC Name: (4-butoxy-3-chloro-5-ethoxyphenyl)methyl-phenethylazanium Traditional Name: (4-butoxy-3-chloro-5-ethoxy-benzyl)-phenethyl-ammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C[NH2+]CCC2=CC=CC=C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C[NH2+]CCC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H28ClNO2/c1-3-5-13-25-21-19(22)14-18(15-20(21)24-4-2)16-23-12-11-17-9-7-6-8-10-17/h6-10,14-15,23H,3-5,11-13,16H2,1-2H3/p+1