1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-2-14(17)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1