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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1,3-thiazol-4-ylcarbonyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(thiazole-4-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo(4-thiazolyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(thiazole-4-carbonyl)-3-piperidyl]ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CSC=N3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=CSC=N3

InChI

InChI=1S/C20H27N3O3S/c1-22(10-8-15-6-7-18(25-2)19(11-15)26-3)16-5-4-9-23(12-16)20(24)17-13-27-14-21-17/h6-7,11,13-14,16H,4-5,8-10,12H2,1-3H3/p+1/t16-/m0/s1