4-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-ol Formula: C20H25BrNO3+ MolecularWeight: 407.3214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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