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

Systemtic Name: 1-(3-methylphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(m-tolyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-methylphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-methylphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(m-tolyl)-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:

CC1=CC(=CC=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c1-15-6-5-9-17(12-15)21-14-20(13-19-18(21)22)11-10-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H,19,22)/p+1