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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N5O2S/c30-22(26-19-6-2-1-5-18(19)24(31)25-17-9-10-17)15-28-11-13-29(14-12-28)16-23-27-20-7-3-4-8-21(20)32-23/h1-8,17H,9-16H2,(H,25,31)(H,26,30)/p+1