4-bromanyl-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C19H31BrN2O+2 MolecularWeight: 383.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O)C

InChI

InChI=1S/C19H29BrN2O/c1-14-9-15(2)12-22(11-14)18-5-7-21(8-6-18)13-16-10-17(20)3-4-19(16)23/h3-4,10,14-15,18,23H,5-9,11-13H2,1-2H3/p+2/t14-,15-/m0/s1