(2-chlorophenyl)methyl-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (2-chlorophenyl)methyl-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: (2-chlorophenyl)methyl-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: (2-chlorophenyl)methyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: (2-chlorobenzyl)-(4-hydroxy-3,5-dimethyl-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C22H27ClN3O+ MolecularWeight: 384.92228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O/c1-17-12-19(13-18(2)22(17)27)14-26(10-5-9-25-11-8-24-16-25)15-20-6-3-4-7-21(20)23/h3-4,6-8,11-13,16,27H,5,9-10,14-15H2,1-2H3/p+1