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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-thiophen-2-ylethanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[2-(2-thienyl)acetyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[2-(2-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=CC=CS3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C22H30N2O3S/c1-23(12-10-17-8-9-20(26-2)21(14-17)27-3)18-6-4-11-24(16-18)22(25)15-19-7-5-13-28-19/h5,7-9,13-14,18H,4,6,10-12,15-16H2,1-3H3/p+1/t18-/m0/s1