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

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(o-tolyl)piperazin-1-ium Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C20H23ClN2O2/c1-15-4-2-3-5-18(15)23-8-6-22(7-9-23)14-16-12-17(21)20-19(13-16)24-10-11-25-20/h2-5,12-13H,6-11,14H2,1H3/p+1