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

Systemtic Name: [4-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[[2-(4-ethoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[2-(4-ethoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: phenyl-[4-[(2-p-phenetylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-2-28-21-10-8-18(9-11-21)22-24-20(17-29-22)16-25-12-14-26(15-13-25)23(27)19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3/p+1