(3S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-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)Cl)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3/c1-23-8-10-24(11-9-23)16-7-6-14(21)12-15(16)22-20(25)19-13-26-17-4-2-3-5-18(17)27-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)/p+1/t19-/m0/s1