1,3-bis(4-ethylphenyl)-5-propan-2-yl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1,3-bis(4-ethylphenyl)-5-propan-2-yl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1,3-bis(4-ethylphenyl)-5-isopropyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1,3-bis(4-ethylphenyl)-5-propan-2-yl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1,3-bis(4-ethylphenyl)-5-propan-2-yl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1,3-bis(4-ethylphenyl)-5-isopropyl-1,3,5-triazinan-5-ium-2-thione Formula: C22H30N3S+ MolecularWeight: 368.5587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CN(C2=S)C3=CC=C(C=C3)CC)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CN(C2=S)C3=CC=C(C=C3)CC)C(C)C

InChI

InChI=1S/C22H29N3S/c1-5-18-7-11-20(12-8-18)24-15-23(17(3)4)16-25(22(24)26)21-13-9-19(6-2)10-14-21/h7-14,17H,5-6,15-16H2,1-4H3/p+1