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

Systemtic Name: (3R)-N-[4-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-2-11-25-12-14-26(15-13-25)23(28)17-7-9-18(10-8-17)24-22(27)21-16-29-19-5-3-4-6-20(19)30-21/h3-10,21H,2,11-16H2,1H3,(H,24,27)/p+1/t21-/m1/s1