[(3R)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-3-yl]methylazanium

Systemtic Name: [(3R)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-3-yl]methylazanium Openeye Name: [(3R)-1-[2-(3,4-dimethoxyphenyl)acetyl]-3-piperidyl]methylammonium CAS Name: [(3R)-1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-3-piperidinyl]methylammonium IUPAC Name: [(3R)-1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-3-yl]methylazanium Traditional Name: [(3R)-1-homoveratroyl-3-piperidyl]methylammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCC(C2)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCC[C@@H](C2)C[NH3+])OC

InChI

InChI=1S/C16H24N2O3/c1-20-14-6-5-12(8-15(14)21-2)9-16(19)18-7-3-4-13(10-17)11-18/h5-6,8,13H,3-4,7,9-11,17H2,1-2H3/p+1/t13-/m1/s1