4-(4-bromophenyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-(4-bromophenyl)piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(3-benzoxybenzyl)-4-(4-bromophenyl)piperidin-1-ium-4-ol Formula: C25H27BrNO2+ MolecularWeight: 453.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Br)O)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Br)O)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO2/c26-23-11-9-22(10-12-23)25(28)13-15-27(16-14-25)18-21-7-4-8-24(17-21)29-19-20-5-2-1-3-6-20/h1-12,17,28H,13-16,18-19H2/p+1