3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)C4=CC=CC=C4O

InChI

InChI=1S/C18H19N3O2S/c22-16-7-3-1-5-14(16)20-11-9-19(10-12-20)13-21-15-6-2-4-8-17(15)23-18(21)24/h1-8,22H,9-13H2/p+1