(2R)-N-(2-phenylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-phenylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-phenylphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-phenylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-phenylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-phenylphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CS4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CS4

InChI

InChI=1S/C22H24N4OS/c1-17(25-12-14-26(15-13-25)22-23-11-16-28-22)21(27)24-20-10-6-5-9-19(20)18-7-3-2-4-8-18/h2-11,16-17H,12-15H2,1H3,(H,24,27)/p+1/t17-/m1/s1