2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethylazanium

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethylazanium Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethylammonium CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]ethylammonium IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethylazanium Traditional Name: 2-(1-veratrylpiperidin-1-ium-4-yl)ethylammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-19-15-4-3-14(11-16(15)20-2)12-18-9-6-13(5-8-17)7-10-18/h3-4,11,13H,5-10,12,17H2,1-2H3/p+2