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

Systemtic Name: 1-(3-methoxyphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-methoxyphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-methoxyphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-methoxyphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-methoxyphenyl)-5-phenethyl-1,3,5-triazinan-5-ium-2-thione Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2C[NH+](CNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-22-17-9-5-8-16(12-17)21-14-20(13-19-18(21)23)11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,19,23)/p+1