(2R)-1-[1-[(4-bromophenyl)methyl]-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol

Systemtic Name: (2R)-1-[1-[(4-bromophenyl)methyl]-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol Openeye Name: (2R)-1-[1-[(4-bromophenyl)methyl]-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol CAS Name: (2R)-1-[1-[(4-bromophenyl)methyl]-4-phenyl-1-piperidin-1-iumyl]-2-hexanol IUPAC Name: (2R)-1-[1-[(4-bromophenyl)methyl]-4-phenylpiperidin-1-ium-1-yl]hexan-2-ol Traditional Name: (2R)-1-[1-(4-bromobenzyl)-4-phenyl-piperidin-1-ium-1-yl]hexan-2-ol Formula: C24H33BrNO+ MolecularWeight: 431.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C[N+]1(CCC(CC1)C2=CC=CC=C2)CC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCCC[C@H](C[N+]1(CCC(CC1)C2=CC=CC=C2)CC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C24H33BrNO/c1-2-3-9-24(27)19-26(18-20-10-12-23(25)13-11-20)16-14-22(15-17-26)21-7-5-4-6-8-21/h4-8,10-13,22,24,27H,2-3,9,14-19H2,1H3/q+1/t22?,24-,26?/m1/s1