2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[3-(2-thienyl)propanoyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1-oxo-3-thiophen-2-ylpropyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[3-(2-thienyl)propanoyl]-3-piperidyl]ammonium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCC3=CC=CS3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CCC3=CC=CS3

InChI

InChI=1S/C23H32N2O3S/c1-24(14-12-18-8-10-21(27-2)22(16-18)28-3)19-6-4-13-25(17-19)23(26)11-9-20-7-5-15-29-20/h5,7-8,10,15-16,19H,4,6,9,11-14,17H2,1-3H3/p+1/t19-/m0/s1