1-[(3-methoxyphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 1-m-anisyl-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H24N3O3S+ MolecularWeight: 398.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C21H23N3O3S/c1-15-19(22-21(27-15)17-6-9-28-14-17)12-23-7-8-24(20(25)13-23)11-16-4-3-5-18(10-16)26-2/h3-6,9-10,14H,7-8,11-13H2,1-2H3/p+1