[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(4-chlorobenzyl)oxy-3-ethoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-2-27-22-14-19(15-24-10-3-12-26-13-11-25-17-26)6-9-21(22)28-16-18-4-7-20(23)8-5-18/h4-9,11,13-14,17,24H,2-3,10,12,15-16H2,1H3/p+1