1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-bromo-4-hydroxy-5-methoxy-benzyl)-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C22H28BrN2O3+ MolecularWeight: 448.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C22H27BrN2O3/c1-15(17-6-4-3-5-7-17)24-22(27)18-8-10-25(11-9-18)14-16-12-19(23)21(26)20(13-16)28-2/h3-7,12-13,15,18,26H,8-11,14H2,1-2H3,(H,24,27)/p+1/t15-/m1/s1