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

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-(o-tolyl)ethyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(o-tolyl)ethyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C18H24N4OS/c1-14-5-3-4-6-16(14)15(2)20-17(23)13-21-8-10-22(11-9-21)18-19-7-12-24-18/h3-7,12,15H,8-11,13H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1