[(3S)-3-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-yl-propyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-19-15-7-6-13(12-16(15)20-2)14(8-9-17)18-10-4-3-5-11-18/h6-7,12,14H,3-5,8-11,17H2,1-2H3/p+2/t14-/m0/s1