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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-thiophen-3-ylcarbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(thiophene-3-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo(3-thiophenyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(thiophene-3-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(3-thenoyl)-3-piperidyl]ammonium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-22(11-8-16-6-7-19(25-2)20(13-16)26-3)18-5-4-10-23(14-18)21(24)17-9-12-27-15-17/h6-7,9,12-13,15,18H,4-5,8,10-11,14H2,1-3H3/p+1/t18-/m0/s1