1-[(2S)-3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(2-bromo-4-chloro-6-methyl-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(2-bromo-4-chloro-6-methylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(2-bromo-4-chloro-6-methylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(2-bromo-4-chloro-6-methyl-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C16H23BrClN2O3+ MolecularWeight: 406.72242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C[NH+]2CCC(CC2)C(=O)N)O)Br)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O)Br)Cl

InChI

InChI=1S/C16H22BrClN2O3/c1-10-6-12(18)7-14(17)15(10)23-9-13(21)8-20-4-2-11(3-5-20)16(19)22/h6-7,11,13,21H,2-5,8-9H2,1H3,(H2,19,22)/p+1/t13-/m0/s1