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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCN(C(=O)C3)CC4=CC(=CC=C4)OC

InChI

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