4-(4-bromophenyl)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(4-bromophenyl)piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(4-bromophenyl)piperidin-1-ium-4-ol Formula: C26H29BrNO3+ MolecularWeight: 483.41736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28BrNO3/c1-30-24-12-7-21(17-25(24)31-19-20-5-3-2-4-6-20)18-28-15-13-26(29,14-16-28)22-8-10-23(27)11-9-22/h2-12,17,29H,13-16,18-19H2,1H3/p+1