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

Systemtic Name: N-[(1R)-1-phenylbutyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-phenylbutyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-phenylbutyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-phenylbutyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-phenylbutyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C19H26N4OS/c1-2-6-17(16-7-4-3-5-8-16)21-18(24)15-22-10-12-23(13-11-22)19-20-9-14-25-19/h3-5,7-9,14,17H,2,6,10-13,15H2,1H3,(H,21,24)/p+1/t17-/m1/s1