(3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O3/c1-22-10-12-23(13-11-22)16-7-3-2-6-15(16)21-20(24)19-14-25-17-8-4-5-9-18(17)26-19/h2-9,19H,10-14H2,1H3,(H,21,24)/p+1/t19-/m1/s1