(3S,4R)-6-bromanyl-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-piperidin-1-yl-2,4-dihydrochromen-4-ol

Systemtic Name: (3S,4R)-6-bromanyl-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-piperidin-1-yl-2,4-dihydrochromen-4-ol Openeye Name: (3S,4R)-6-bromo-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-(1-piperidyl)chroman-4-ol CAS Name: (3S,4R)-6-bromo-7-methyl-3-(1-piperidin-1-iumylmethyl)-3-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: (3S,4R)-6-bromo-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-piperidin-1-yl-2,4-dihydrochromen-4-ol Traditional Name: (3S,4R)-6-bromo-7-methyl-3-(piperidin-1-ium-1-ylmethyl)-3-piperidino-chroman-4-ol Formula: C21H32BrN2O2+ MolecularWeight: 424.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(C(COC2=C1)(C[NH+]3CCCCC3)N4CCCCC4)O)Br

Isomeric SMILES

CC1=C(C=C2[C@H]([C@@](COC2=C1)(C[NH+]3CCCCC3)N4CCCCC4)O)Br

InChI

InChI=1S/C21H31BrN2O2/c1-16-12-19-17(13-18(16)22)20(25)21(15-26-19,24-10-6-3-7-11-24)14-23-8-4-2-5-9-23/h12-13,20,25H,2-11,14-15H2,1H3/p+1/t20-,21+/m1/s1