N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)benzyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O3/c1-23-8-10-24(11-9-23)18-5-2-16(3-6-18)15-22-21(25)17-4-7-19-20(14-17)27-13-12-26-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)/p+1