2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: homoveratryl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H26N2O2/c1-18-10-7-14(8-11-18)17-9-6-13-4-5-15(19-2)16(12-13)20-3/h4-5,12,14,17H,6-11H2,1-3H3/p+2