4-(4-bromophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-ol Formula: C21H27BrNO4+ MolecularWeight: 437.34738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H26BrNO4/c1-25-18-12-15(13-19(26-2)20(18)27-3)14-23-10-8-21(24,9-11-23)16-4-6-17(22)7-5-16/h4-7,12-13,24H,8-11,14H2,1-3H3/p+1