2-[3-(3-chlorophenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[3-(3-chlorophenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[3-(3-chlorophenyl)-4-thioxo-1,3,5-triazinan-1-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[3-(3-chlorophenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl-diethylammonium IUPAC Name: 2-[3-(3-chlorophenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[3-(3-chlorophenyl)-4-thioxo-1,3,5-triazinan-1-ium-1-yl]ethyl-diethyl-ammonium Formula: C15H25ClN4S+2 MolecularWeight: 328.9038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+]1CNC(=S)N(C1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC[NH+](CC)CC[NH+]1CNC(=S)N(C1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H23ClN4S/c1-3-18(4-2)8-9-19-11-17-15(21)20(12-19)14-7-5-6-13(16)10-14/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,17,21)/p+2