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

Systemtic Name: [4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN2O3/c21-17-12-15(13-18-19(17)26-11-10-25-18)14-22-6-8-23(9-7-22)20(24)16-4-2-1-3-5-16/h1-5,12-13H,6-11,14H2/p+1