4-[[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: 4-[[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-ium-1-yl]methyl]benzamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H24N4OS/c1-15(21-23-18-4-2-3-5-19(18)27-21)25-12-10-24(11-13-25)14-16-6-8-17(9-7-16)20(22)26/h2-9,15H,10-14H2,1H3,(H2,22,26)/p+1/t15-/m0/s1