6-phenyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine

Systemtic Name: 6-phenyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine Openeye Name: 6-phenyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine CAS Name: 6-phenyl-3-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazine IUPAC Name: 6-phenyl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazine Traditional Name: 6-phenyl-3-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazine Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4S/c1-3-7-14(8-4-1)15-13-17-16(19-18-15)21-12-11-20-9-5-2-6-10-20/h1,3-4,7-8,13H,2,5-6,9-12H2/p+1