3,4-dimethoxy-N-[(1S)-2,2,2-tris(chloranyl)-1-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(1S)-2,2,2-tris(chloranyl)-1-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C16H22Cl3N2O3+ MolecularWeight: 396.71648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)[NH+]2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H](C(Cl)(Cl)Cl)[NH+]2CCCCC2)OC

InChI

InChI=1S/C16H21Cl3N2O3/c1-23-12-7-6-11(10-13(12)24-2)14(22)20-15(16(17,18)19)21-8-4-3-5-9-21/h6-7,10,15H,3-5,8-9H2,1-2H3,(H,20,22)/p+1/t15-/m0/s1