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

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCO4)C

InChI

InChI=1S/C21H25ClN2O2/c1-15-4-3-5-19(16(15)2)24-8-6-23(7-9-24)14-17-12-18(22)21-20(13-17)25-10-11-26-21/h3-5,12-13H,6-11,14H2,1-2H3/p+1