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

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-16(2)14-18(17-6-4-3-5-7-17)22-19(25)15-23-9-11-24(12-10-23)20-21-8-13-26-20/h3-8,13,16,18H,9-12,14-15H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1