[(2R)-2-[(3,4-dimethoxyphenyl)methyl]-3-pyrrolidin-1-ium-1-yl-propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C[NH3+])C[NH+]2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@H](C[NH3+])C[NH+]2CCCC2)OC

InChI

InChI=1S/C16H26N2O2/c1-19-15-6-5-13(10-16(15)20-2)9-14(11-17)12-18-7-3-4-8-18/h5-6,10,14H,3-4,7-9,11-12,17H2,1-2H3/p+2/t14-/m1/s1