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

Systemtic Name: 1-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]propan-1-one Openeye Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propan-1-one CAS Name: 1-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1-propanone IUPAC Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propan-1-one Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]propan-1-one Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-2-20(23)18-8-10-19(11-9-18)22-14-12-21(13-15-22)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/p+1