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

Systemtic Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-26-21-13-17(14-23-8-3-10-25-11-9-24-16-25)6-7-20(21)27-15-18-4-2-5-19(22)12-18/h2,4-7,9,11-13,16,23H,3,8,10,14-15H2,1H3/p+1