5-phenethyl-1-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-phenethyl-1-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-benzyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-phenethyl-1-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-benzyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-benzyl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1NC(=S)N(C[NH+]1CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c22-18-19-14-20(12-11-16-7-3-1-4-8-16)15-21(18)13-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,19,22)/p+1