1-naphthalen-1-yl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-naphthalen-1-yl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(1-naphthyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(1-naphthalenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-naphthalen-1-yl-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(1-naphthyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C21H22N3S+ MolecularWeight: 348.48448

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CCC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1NC(=S)N(C[NH+]1CCC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N3S/c25-21-22-15-23(14-13-17-7-2-1-3-8-17)16-24(21)20-12-6-10-18-9-4-5-11-19(18)20/h1-12H,13-16H2,(H,22,25)/p+1