(3,4-dimethoxyphenyl)methyl-(1-ethylpiperidin-1-ium-4-yl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H26N2O2/c1-4-18-9-7-14(8-10-18)17-12-13-5-6-15(19-2)16(11-13)20-3/h5-6,11,14,17H,4,7-10,12H2,1-3H3/p+2