1,3-bis(4-ethylphenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1,3-bis(4-ethylphenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1,3-bis(4-ethylphenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1,3-bis(4-ethylphenyl)-5-[3-(4-morpholin-4-iumyl)propyl]-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1,3-bis(4-ethylphenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1,3-bis(4-ethylphenyl)-5-(3-morpholin-4-ium-4-ylpropyl)-1,3,5-triazinan-5-ium-2-thione Formula: C26H38N4OS+2 MolecularWeight: 454.67112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CN(C2=S)C3=CC=C(C=C3)CC)CCC[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CN(C2=S)C3=CC=C(C=C3)CC)CCC[NH+]4CCOCC4

InChI

InChI=1S/C26H36N4OS/c1-3-22-6-10-24(11-7-22)29-20-28(15-5-14-27-16-18-31-19-17-27)21-30(26(29)32)25-12-8-23(4-2)9-13-25/h6-13H,3-5,14-21H2,1-2H3/p+2