6-[(R)-(4-bromophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(R)-(4-bromophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(R)-(4-bromophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(R)-(4-bromophenyl)-(4-methyl-1-piperazin-4-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(R)-(4-bromophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(R)-(4-bromophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]sesamol Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C2=CC=C(C=C2)Br)C3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H21BrN2O3/c1-21-6-8-22(9-7-21)19(13-2-4-14(20)5-3-13)15-10-17-18(11-16(15)23)25-12-24-17/h2-5,10-11,19,23H,6-9,12H2,1H3/p+1/t19-/m1/s1