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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-thiophen-3-ylethanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[2-(3-thienyl)acetyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[1-oxo-2-(3-thiophenyl)ethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[2-(3-thienyl)acetyl]-3-piperidyl]ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CC3=CSC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CC3=CSC=C3

InChI

InChI=1S/C22H30N2O3S/c1-23(11-8-17-6-7-20(26-2)21(13-17)27-3)19-5-4-10-24(15-19)22(25)14-18-9-12-28-16-18/h6-7,9,12-13,16,19H,4-5,8,10-11,14-15H2,1-3H3/p+1/t19-/m0/s1