[3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(3,4-dimethoxyphenyl)methyl]azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(3,4-dimethoxyphenyl)methyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-[(3,4-dimethoxyphenyl)methyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-[(3,4-dimethoxyphenyl)methyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]-[(3,4-dimethoxyphenyl)methyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]-veratryl-ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H27NO4/c1-27-22-10-8-18(14-24(22)28-2)16-26-13-12-21(19-6-4-3-5-7-19)20-9-11-23-25(15-20)30-17-29-23/h3-11,14-15,21,26H,12-13,16-17H2,1-2H3/p+1