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

Systemtic Name: diethyl-[2-[3-(4-ethylphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[3-(4-ethylphenyl)-4-thioxo-1,3,5-triazinan-1-ium-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[3-(4-ethylphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[3-(4-ethylphenyl)-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[3-(4-ethylphenyl)-4-thioxo-1,3,5-triazinan-1-ium-1-yl]ethyl]ammonium Formula: C17H30N4S+2 MolecularWeight: 322.5119

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC[NH+](CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[NH+](CNC2=S)CC[NH+](CC)CC

InChI

InChI=1S/C17H28N4S/c1-4-15-7-9-16(10-8-15)21-14-20(13-18-17(21)22)12-11-19(5-2)6-3/h7-10H,4-6,11-14H2,1-3H3,(H,18,22)/p+2