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

Systemtic Name: 6-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenyl-methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenyl-methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(R)-(4-methyl-1-piperazin-4-iumyl)-phenylmethyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenylmethyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenyl-methyl]sesamol Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-20-7-9-21(10-8-20)19(14-5-3-2-4-6-14)15-11-17-18(12-16(15)22)24-13-23-17/h2-6,11-12,19,22H,7-10,13H2,1H3/p+1/t19-/m1/s1