5-[(3-methylphenyl)amino]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3-methylphenyl)amino]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-methylanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-methylanilino)-3-(1-piperidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-methylanilino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(m-toluidino)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C15H21N4S2+ MolecularWeight: 321.48404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H20N4S2/c1-12-6-5-7-13(10-12)16-14-17-19(15(20)21-14)11-18-8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)/p+1