1-[4-[4-(azocan-1-ium-1-ylmethyl)phenoxy]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-[4-(azocan-1-ium-1-ylmethyl)phenoxy]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-[4-[4-(azocan-1-ium-1-ylmethyl)phenoxy]-1-piperidyl]-2-(2-methylthiazol-4-yl)ethanone CAS Name: 1-[4-[4-(1-azocan-1-iumylmethyl)phenoxy]-1-piperidinyl]-2-(2-methyl-4-thiazolyl)ethanone IUPAC Name: 1-[4-[4-(azocan-1-ium-1-ylmethyl)phenoxy]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-[4-[4-(azocan-1-ium-1-ylmethyl)phenoxy]piperidino]-2-(2-methylthiazol-4-yl)ethanone Formula: C25H36N3O2S+ MolecularWeight: 442.63724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC(=O)N2CCC(CC2)OC3=CC=C(C=C3)C[NH+]4CCCCCCC4

Isomeric SMILES

CC1=NC(=CS1)CC(=O)N2CCC(CC2)OC3=CC=C(C=C3)C[NH+]4CCCCCCC4

InChI

InChI=1S/C25H35N3O2S/c1-20-26-22(19-31-20)17-25(29)28-15-11-24(12-16-28)30-23-9-7-21(8-10-23)18-27-13-5-3-2-4-6-14-27/h7-10,19,24H,2-6,11-18H2,1H3/p+1