4-[2,4-bis(chloranyl)phenoxy]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one CAS Name: 4-(2,4-dichlorophenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one Formula: C27H29Cl2N2O2+ MolecularWeight: 484.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCOC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCOC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H28Cl2N2O2/c28-23-13-14-25(24(29)20-23)33-19-7-12-26(32)30-15-17-31(18-16-30)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,27H,7,12,15-19H2/p+1