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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(thiazol-2-ylmethyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-thiazolylmethyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(thiazol-2-ylmethyl)-3-piperidyl]ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=NC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S/c1-22(11-8-16-6-7-18(24-2)19(13-16)25-3)17-5-4-10-23(14-17)15-20-21-9-12-26-20/h6-7,9,12-13,17H,4-5,8,10-11,14-15H2,1-3H3/p+1/t17-/m0/s1