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

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H25ClN2O3/c1-25-19-6-3-2-5-18(19)24-9-7-23(8-10-24)15-16-13-17(22)21-20(14-16)26-11-4-12-27-21/h2-3,5-6,13-14H,4,7-12,15H2,1H3/p+1