4-bromanyl-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C18H29BrN2O2+2 MolecularWeight: 385.33906

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H27BrN2O2/c1-13-10-21(11-14(2)23-13)17-5-7-20(8-6-17)12-15-9-16(19)3-4-18(15)22/h3-4,9,13-14,17,22H,5-8,10-12H2,1-2H3/p+2/t13-,14-/m0/s1