2-(3,4-dimethoxyphenyl)ethyl-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-3-yl]-methyl-azanium Openeye Name: [(3R)-1-[(5-acetyl-3-thienyl)methyl]-3-piperidyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidinyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [(3R)-1-[(5-acetyl-3-thienyl)methyl]-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2CCC[C@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H32N2O3S/c1-17(26)23-13-19(16-29-23)14-25-10-5-6-20(15-25)24(2)11-9-18-7-8-21(27-3)22(12-18)28-4/h7-8,12-13,16,20H,5-6,9-11,14-15H2,1-4H3/p+1/t20-/m1/s1