1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-(2,5-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione Formula: C24H28N3O2S+ MolecularWeight: 422.56302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H27N3O2S/c1-17-7-8-18(2)19(15-17)21(28)9-10-24(29)27-13-11-26(12-14-27)16-23-25-20-5-3-4-6-22(20)30-23/h3-8,15H,9-14,16H2,1-2H3/p+1