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

Systemtic Name: 1-(2,3-dimethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(2,3-dimethylphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2,3-dimethylphenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(2,3-dimethylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(2,3-dimethylphenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[NH+](CNC2=S)CC3=CN=CC=C3)C

InChI

InChI=1S/C17H20N4S/c1-13-5-3-7-16(14(13)2)21-12-20(11-19-17(21)22)10-15-6-4-8-18-9-15/h3-9H,10-12H2,1-2H3,(H,19,22)/p+1