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

Systemtic Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-3-24-10-12-25(13-11-24)18-9-8-17(14-16(18)2)23-22(26)21-15-27-19-6-4-5-7-20(19)28-21/h4-9,14,21H,3,10-13,15H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1