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

Systemtic Name: 4-(4-methoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-methoxyphenoxy)butan-1-one CAS Name: 4-(4-methoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(4-methoxyphenoxy)butan-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-26-20-9-11-21(12-10-20)27-17-5-8-22(25)24-15-13-23(14-16-24)18-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3/p+1