N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]-2-furamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H22N4O3S/c1-14(21-19(25)16-6-4-12-27-16)20(26)24-10-8-23(9-11-24)13-18-22-15-5-2-3-7-17(15)28-18/h2-7,12,14H,8-11,13H2,1H3,(H,21,25)/p+1/t14-/m0/s1