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

Systemtic Name: 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O2S/c27-22-26(19-8-4-5-9-20(19)28-22)16-25-12-10-24(11-13-25)14-18-15-29-21(23-18)17-6-2-1-3-7-17/h1-9,15H,10-14,16H2/p+1