(2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: (2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (2-chlorophenyl)methyl-[3-(1-imidazolyl)propyl]-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: (2-chlorobenzyl)-(3-imidazol-1-ylpropyl)-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+](CCCN3C=CN=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+](CCCN3C=CN=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O3/c1-27-20-11-17(12-21-22(20)29-16-28-21)13-26(9-4-8-25-10-7-24-15-25)14-18-5-2-3-6-19(18)23/h2-3,5-7,10-12,15H,4,8-9,13-14,16H2,1H3/p+1