3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O3S2/c23-27(24,14-16-6-2-1-3-7-16)21-12-10-20(11-13-21)15-22-17-8-4-5-9-18(17)25-19(22)26/h1-9H,10-15H2/p+1