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

Systemtic Name: 1-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-methoxyphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-methoxyphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-methoxyphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H19N4OS+ MolecularWeight: 315.41326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3

InChI

InChI=1S/C16H18N4OS/c1-21-15-6-2-5-14(8-15)20-12-19(11-18-16(20)22)10-13-4-3-7-17-9-13/h2-9H,10-12H2,1H3,(H,18,22)/p+1