3-(4-ethylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-ethylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-ethylphenyl)propan-1-one CAS Name: 3-(4-ethylphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-ethylphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-ethylphenyl)propan-1-one Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-2-19-8-10-20(11-9-19)12-13-22(25)24-16-14-23(15-17-24)18-21-6-4-3-5-7-21/h3-11H,2,12-18H2,1H3/p+1