(3,4-dimethoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: 3-pyrrolidin-1-ium-1-ylpropyl(veratryl)ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC[NH+]2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC[NH+]2CCCC2)OC

InChI

InChI=1S/C16H26N2O2/c1-19-15-7-6-14(12-16(15)20-2)13-17-8-5-11-18-9-3-4-10-18/h6-7,12,17H,3-5,8-11,13H2,1-2H3/p+2