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

Systemtic Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-23-10-12-24(13-11-23)21(26)15-6-8-16(9-7-15)22-20(25)19-14-27-17-4-2-3-5-18(17)28-19/h2-9,19H,10-14H2,1H3,(H,22,25)/p+1/t19-/m1/s1