2-(3,4-dimethoxyphenyl)ethyl-methyl-(pyren-1-ylmethyl)azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-(pyren-1-ylmethyl)azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-(pyren-1-ylmethyl)ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-(1-pyrenylmethyl)ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-(pyren-1-ylmethyl)azanium Traditional Name: homoveratryl-methyl-(pyren-1-ylmethyl)ammonium Formula: C28H28NO2+ MolecularWeight: 410.52742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C28H27NO2/c1-29(16-15-19-7-14-25(30-2)26(17-19)31-3)18-23-11-10-22-9-8-20-5-4-6-21-12-13-24(23)28(22)27(20)21/h4-14,17H,15-16,18H2,1-3H3/p+1