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

Systemtic Name: 1-(2,5-dimethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(2,5-dimethylphenyl)-5-(2-furylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(2,5-dimethylphenyl)-5-(2-furanylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(2,5-dimethylphenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(2,5-dimethylphenyl)-5-(2-furfuryl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C[NH+](CNC2=S)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C[NH+](CNC2=S)CC3=CC=CO3

InChI

InChI=1S/C16H19N3OS/c1-12-5-6-13(2)15(8-12)19-11-18(10-17-16(19)21)9-14-4-3-7-20-14/h3-8H,9-11H2,1-2H3,(H,17,21)/p+1