4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24ClN3O4/c1-27-18-4-2-16(22)12-15(18)14-24-6-8-25(9-7-24)21(26)23-17-3-5-19-20(13-17)29-11-10-28-19/h2-5,12-13H,6-11,14H2,1H3,(H,23,26)/p+1