2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-cyclohexyl-N-methyl-benzamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-cyclohexyl-N-methyl-benzamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-cyclohexyl-N-methyl-benzamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-cyclohexyl-N-methylbenzamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-cyclohexyl-N-methylbenzamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-cyclohexyl-N-methyl-benzamide Formula: C27H33N4O2S+ MolecularWeight: 477.64152

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H32N4O2S/c1-29(20-9-3-2-4-10-20)26(32)21-11-5-6-12-22(21)27(33)31-17-15-30(16-18-31)19-25-28-23-13-7-8-14-24(23)34-25/h5-8,11-14,20H,2-4,9-10,15-19H2,1H3/p+1