(2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: (2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: (2-chlorophenyl)methyl-[3-(1-imidazolyl)propyl]-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: (2-chlorobenzyl)-(3-imidazol-1-ylpropyl)-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C[NH+](CCCN3C=CN=C3)CC4=CC=CC=C4Cl)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1C[NH+](CCCN3C=CN=C3)CC4=CC=CC=C4Cl)OCO2

InChI

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