5-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Formula: C23H30N3S+ MolecularWeight: 380.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH+]2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)[NH+]2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3S/c1-18-10-9-15-22(19(18)2)24-16-25(20-11-5-3-6-12-20)23(27)26(17-24)21-13-7-4-8-14-21/h3-8,11-14,18-19,22H,9-10,15-17H2,1-2H3/p+1/t18-,19+,22+/m1/s1