anthracen-9-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium

Systemtic Name: anthracen-9-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: 9-anthrylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: 9-anthracenylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: anthracen-9-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: 9-anthrylmethyl(homoveratryl)ammonium Formula: C25H26NO2+ MolecularWeight: 372.47944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=C3C=CC=CC3=CC4=CC=CC=C42)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=C3C=CC=CC3=CC4=CC=CC=C42)OC

InChI

InChI=1S/C25H25NO2/c1-27-24-12-11-18(15-25(24)28-2)13-14-26-17-23-21-9-5-3-7-19(21)16-20-8-4-6-10-22(20)23/h3-12,15-16,26H,13-14,17H2,1-2H3/p+1