2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C21H28BrN2O2S+ MolecularWeight: 452.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C21H27BrN2O2S/c1-15-12-20(16(2)11-17(15)22)27-14-21(25)23-13-18(19-7-6-10-26-19)24-8-4-3-5-9-24/h6-7,10-12,18H,3-5,8-9,13-14H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1