(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H22BrN4OS+ MolecularWeight: 410.35178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4OS/c1-12-3-4-15(14(18)11-12)20-16(23)13(2)21-6-8-22(9-7-21)17-19-5-10-24-17/h3-5,10-11,13H,6-9H2,1-2H3,(H,20,23)/p+1/t13-/m0/s1