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

Systemtic Name: 3-imidazol-1-ylpropyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-(3-methoxy-4-phenethyloxy-benzyl)ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-26-22-16-20(17-23-11-5-13-25-14-12-24-18-25)8-9-21(22)27-15-10-19-6-3-2-4-7-19/h2-4,6-9,12,14,16,18,23H,5,10-11,13,15,17H2,1H3/p+1