4-(4-bromophenyl)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-ol Formula: C20H25BrNO3+ MolecularWeight: 407.3214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O)O

InChI

InChI=1S/C20H24BrNO3/c1-2-25-19-13-15(3-8-18(19)23)14-22-11-9-20(24,10-12-22)16-4-6-17(21)7-5-16/h3-8,13,23-24H,2,9-12,14H2,1H3/p+1