N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]butanamide CAS Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutanamide IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-4-oxobutanamide Traditional Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-keto-4-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]butyramide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)(C)C

InChI

InChI=1S/C22H31N5O2S/c1-16-5-7-17(8-6-16)15-26-11-13-27(14-12-26)19(29)10-9-18(28)23-21-25-24-20(30-21)22(2,3)4/h5-8H,9-15H2,1-4H3,(H,23,25,28)/p+1