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

Systemtic Name: [(2R)-2-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(2R)-2-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(2R)-2-[(3,4-dimethoxyphenyl)methyl]-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(2R)-2-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(2R)-3-(3,4-dimethoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)propyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C[NH3+])C[NH+]2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@H](C[NH3+])C[NH+]2CCCCC2)OC

InChI

InChI=1S/C17H28N2O2/c1-20-16-7-6-14(11-17(16)21-2)10-15(12-18)13-19-8-4-3-5-9-19/h6-7,11,15H,3-5,8-10,12-13,18H2,1-2H3/p+2/t15-/m1/s1