(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionamide Formula: C19H23BrN3O2S+ MolecularWeight: 437.37382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O2S/c1-13-5-6-16(15(20)12-13)21-18(24)14(2)22-7-9-23(10-8-22)19(25)17-4-3-11-26-17/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1