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

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-(2,4-dichlorophenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C19H22Cl2N3O2+ MolecularWeight: 395.30288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O2/c20-15-6-7-17(16(21)14-15)26-13-3-5-19(25)24-11-9-23(10-12-24)18-4-1-2-8-22-18/h1-2,4,6-8,14H,3,5,9-13H2/p+1