1-[4-methoxy-3-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C17H22N3O2S+ MolecularWeight: 332.44048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H21N3O2S/c1-13(21)14-3-4-16(22-2)15(11-14)12-19-6-8-20(9-7-19)17-18-5-10-23-17/h3-5,10-11H,6-9,12H2,1-2H3/p+1