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

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-23-6-8-24(9-7-23)17-4-3-15(13-16(17)21)22-20(25)14-2-5-18-19(12-14)27-11-10-26-18/h2-5,12-13H,6-11H2,1H3,(H,22,25)/p+1