2,2-bis(chloranyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2,2-bis(chloranyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dichloro-propan-1-one CAS Name: 2,2-dichloro-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dichloropropan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2,2-dichloro-propan-1-one Formula: C14H19Cl2N2O+ MolecularWeight: 302.21946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)(Cl)Cl

Isomeric SMILES

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)(Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O/c1-14(15,16)13(19)18-9-7-17(8-10-18)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1