N-methyl-N-[2-(oxan-4-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[2-(oxan-4-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-(2-tetrahydropyran-4-ylethyl)acetamide CAS Name: N-methyl-N-[2-(4-oxanyl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(oxan-4-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-methyl-N-(2-tetrahydropyran-4-ylethyl)acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCOCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

CN(CCC1CCOCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C19H29N3O3S/c1-21(8-4-15-5-10-25-11-6-15)18(23)13-17-19(24)20-7-9-22(17)14-16-3-2-12-26-16/h2-3,12,15,17H,4-11,13-14H2,1H3,(H,20,24)/p+1/t17-/m1/s1