2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-(4-homoveratrylpiperazin-4-ium-1-yl)ethylammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+]2CCN(CC2)CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+]2CCN(CC2)CC[NH3+])OC

InChI

InChI=1S/C16H27N3O2/c1-20-15-4-3-14(13-16(15)21-2)5-7-18-9-11-19(8-6-17)12-10-18/h3-4,13H,5-12,17H2,1-2H3/p+2