2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopentyl-benzamide

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopentyl-benzamide Openeye Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopentylbenzamide IUPAC Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopentyl-benzamide Formula: C26H32N5O2S+ MolecularWeight: 478.62958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H31N5O2S/c32-24(28-21-10-4-3-9-20(21)26(33)27-19-7-1-2-8-19)17-30-13-15-31(16-14-30)18-25-29-22-11-5-6-12-23(22)34-25/h3-6,9-12,19H,1-2,7-8,13-18H2,(H,27,33)(H,28,32)/p+1