4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Formula: C20H22Cl2N3O3+ MolecularWeight: 423.31298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21Cl2N3O3/c21-16-3-1-14(11-17(16)22)13-24-5-7-25(8-6-24)20(26)23-15-2-4-18-19(12-15)28-10-9-27-18/h1-4,11-12H,5-10,13H2,(H,23,26)/p+1