3-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,4-thiadiazol-5-amine

Systemtic Name: 3-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,4-thiadiazol-5-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(p-tolylmethyl)-1,2,4-thiadiazol-5-amine CAS Name: 3-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,2,4-thiadiazol-5-amine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]amine Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-17-7-9-18(10-8-17)15-21-24-22(27-25-21)23-20-11-13-26(14-12-20)16-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,23,24,25)/p+1