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

Systemtic Name: 3-imidazol-1-ylpropyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: 3-(1-imidazolyl)propyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-25-21-14-19(15-22-10-5-12-24-13-11-23-17-24)8-9-20(21)26-16-18-6-3-2-4-7-18/h2-4,6-9,11,13-14,17,22H,5,10,12,15-16H2,1H3/p+1