(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-16-11-15(12-17-18(16)26-10-9-25-17)19(24)23-7-5-22(6-8-23)13-14-1-3-21-4-2-14/h1-4,11-12H,5-10,13H2/p+1