5-(2-morpholin-4-ium-4-ylethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-(2-morpholin-4-ium-4-ylethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(2-morpholin-4-ium-4-ylethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-[2-(4-morpholin-4-iumyl)ethyl]-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(2-morpholin-4-ium-4-ylethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-(2-morpholin-4-ium-4-ylethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Formula: C21H28N4OS+2 MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH+]2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC[NH+]2CN(C(=S)N(C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4OS/c27-21-24(19-7-3-1-4-8-19)17-23(12-11-22-13-15-26-16-14-22)18-25(21)20-9-5-2-6-10-20/h1-10H,11-18H2/p+2