diethyl-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethyl]azanium

Systemtic Name: diethyl-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethyl]azanium Openeye Name: diethyl-[2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanylethyl]ammonium CAS Name: diethyl-[2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]ethyl]ammonium IUPAC Name: diethyl-[2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylethyl]azanium Traditional Name: diethyl-[2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]ethyl]ammonium Formula: C21H31N4S+ MolecularWeight: 371.56264

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NN=C(C=C1)C2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CC[NH+](CC)CCSC1=NN=C(C=C1)C2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H30N4S/c1-3-24(4-2)16-17-26-21-13-12-20(22-23-21)18-8-10-19(11-9-18)25-14-6-5-7-15-25/h8-13H,3-7,14-17H2,1-2H3/p+1