2-azaniumylethyl-[(3,4-dimethoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(3,4-dimethoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: 2-azaniumylethyl-[(3,4-dimethoxyphenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: 2-ammonioethyl-[(3,4-dimethoxyphenyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(3,4-dimethoxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: 2-ammonioethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]-veratryl-ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC[NH3+])CC2CCCO2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC[NH3+])C[C@H]2CCCO2)OC

InChI

InChI=1S/C16H26N2O3/c1-19-15-6-5-13(10-16(15)20-2)11-18(8-7-17)12-14-4-3-9-21-14/h5-6,10,14H,3-4,7-9,11-12,17H2,1-2H3/p+2/t14-/m1/s1