5-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)-1,3,5-thiadiazinan-5-ium-2-thione

Systemtic Name: 5-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)-1,3,5-thiadiazinan-5-ium-2-thione Openeye Name: 3-benzyl-5-(2-morpholin-4-ium-4-ylethyl)-1,3,5-thiadiazinan-5-ium-2-thione CAS Name: 5-[2-(4-morpholin-4-iumyl)ethyl]-3-(phenylmethyl)-1,3,5-thiadiazinan-5-ium-2-thione IUPAC Name: 3-benzyl-5-(2-morpholin-4-ium-4-ylethyl)-1,3,5-thiadiazinan-5-ium-2-thione Traditional Name: 3-benzyl-5-(2-morpholin-4-ium-4-ylethyl)-1,3,5-thiadiazinan-5-ium-2-thione Formula: C16H25N3OS2+2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH+]2CN(C(=S)SC2)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC[NH+]2CN(C(=S)SC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H23N3OS2/c21-16-19(12-15-4-2-1-3-5-15)13-18(14-22-16)7-6-17-8-10-20-11-9-17/h1-5H,6-14H2/p+2