(3-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-2-26-22-15-20(16-23-11-6-13-25-14-12-24-18-25)9-10-21(22)27-17-19-7-4-3-5-8-19/h3-5,7-10,12,14-15,18,23H,2,6,11,13,16-17H2,1H3/p+1