3-[phenyl-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoyl]amino]propanamide

Systemtic Name: 3-[phenyl-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoyl]amino]propanamide Openeye Name: 3-(N-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetyl]anilino)propionamide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=NC=CS3

InChI

InChI=1S/C18H23N5O2S/c19-16(24)6-8-23(15-4-2-1-3-5-15)17(25)14-21-9-11-22(12-10-21)18-20-7-13-26-18/h1-5,7,13H,6,8-12,14H2,(H2,19,24)/p+1