5-(3-oxidanylpropyl)-1-phenyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-(3-oxidanylpropyl)-1-phenyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(3-hydroxypropyl)-1-phenyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(3-hydroxypropyl)-1-phenyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(3-hydroxypropyl)-1-phenyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(3-hydroxypropyl)-1-phenyl-1,3,5-triazinan-5-ium-2-thione Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CCCO)C2=CC=CC=C2

Isomeric SMILES

C1NC(=S)N(C[NH+]1CCCO)C2=CC=CC=C2

InChI

InChI=1S/C12H17N3OS/c16-8-4-7-14-9-13-12(17)15(10-14)11-5-2-1-3-6-11/h1-3,5-6,16H,4,7-10H2,(H,13,17)/p+1