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

Systemtic Name: N-[(1S)-1-phenylethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-phenylethyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-phenylethyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-phenylethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-phenylethyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-14(15-5-3-2-4-6-15)19-16(22)13-20-8-10-21(11-9-20)17-18-7-12-23-17/h2-7,12,14H,8-11,13H2,1H3,(H,19,22)/p+1/t14-/m0/s1