(2S)-N-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C20H22N4O2S/c1-14(19(26)22-20-21-15-6-2-5-9-18(15)27-20)23-10-12-24(13-11-23)16-7-3-4-8-17(16)25/h2-9,14,25H,10-13H2,1H3,(H,21,22,26)/p+1/t14-/m0/s1