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

Systemtic Name: 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 1-(3-methoxyphenyl)-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 1-(3-methoxyphenyl)-4-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 1-(3-methoxyphenyl)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3-methoxyphenyl)-4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-14-18(21-20(26-14)15-6-9-27-13-15)11-22-7-8-23(19(24)12-22)16-4-3-5-17(10-16)25-2/h3-6,9-10,13H,7-8,11-12H2,1-2H3/p+1