5-(1,4-diazepan-4-ium-1-yl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole

Systemtic Name: 5-(1,4-diazepan-4-ium-1-yl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-(1,4-diazepan-4-ium-1-yl)-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 5-(1,4-diazepan-4-ium-1-yl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-(1,4-diazepan-4-ium-1-yl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Traditional Name: 5-(1,4-diazepan-4-ium-1-yl)-3-(4-methylbenzyl)-1,2,4-thiadiazole Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC[NH2+]CC3

InChI

InChI=1S/C15H20N4S/c1-12-3-5-13(6-4-12)11-14-17-15(20-18-14)19-9-2-7-16-8-10-19/h3-6,16H,2,7-11H2,1H3/p+1