1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(o-tolyl)piperazin-1-ium Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H25ClN2O2/c1-16-5-2-3-6-19(16)24-9-7-23(8-10-24)15-17-13-18(22)21-20(14-17)25-11-4-12-26-21/h2-3,5-6,13-14H,4,7-12,15H2,1H3/p+1