2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazine-1,4-diiumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazine-1,4-diium-1-yl]-N-cyclopropyl-acetamide Formula: C19H28ClN3O3+2 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]3CC[NH+](CC3)CC(=O)NC4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]3CC[NH+](CC3)CC(=O)NC4CC4)Cl)OC1

InChI

InChI=1S/C19H26ClN3O3/c20-16-10-14(11-17-19(16)26-9-1-8-25-17)12-22-4-6-23(7-5-22)13-18(24)21-15-2-3-15/h10-11,15H,1-9,12-13H2,(H,21,24)/p+2