5-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-3-25-6-8-26(9-7-25)17-4-5-19(15(2)12-17)24-22(27)16-13-18(23)21-20(14-16)28-10-11-29-21/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,27)/p+1