2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylazanium Openeye Name: 2-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylammonium CAS Name: 2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazin-1-iumyl]ethylammonium IUPAC Name: 2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylazanium Traditional Name: 2-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylammonium Formula: C16H25N5S+2 MolecularWeight: 319.4682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CC[NH+](CC3)CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CC[NH+](CC3)CC[NH3+]

InChI

InChI=1S/C16H23N5S/c1-13-2-4-14(5-3-13)12-15-18-16(22-19-15)21-10-8-20(7-6-17)9-11-21/h2-5H,6-12,17H2,1H3/p+2