2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C19H22N5O2S2+ MolecularWeight: 416.54028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N5O2S2/c20-18(26)13-5-10-27-19(13)22-16(25)11-23-6-8-24(9-7-23)12-17-21-14-3-1-2-4-15(14)28-17/h1-5,10H,6-9,11-12H2,(H2,20,26)(H,22,25)/p+1