3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(4-methoxyphenyl)methyl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(4-methoxyphenyl)methyl]-[(6-methyl-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-p-anisyl-ammonium Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C[NH+](CCCN3C=CN=C3)CC4=CC=C(C=C4)OC)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C[NH+](CCCN3C=CN=C3)CC4=CC=C(C=C4)OC)OCO2

InChI

InChI=1S/C23H27N3O3/c1-18-12-22-23(29-17-28-22)13-20(18)15-26(10-3-9-25-11-8-24-16-25)14-19-4-6-21(27-2)7-5-19/h4-8,11-13,16H,3,9-10,14-15,17H2,1-2H3/p+1