(2R)-2-(2-methoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: (2R)-2-(2-methoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxyphenoxy)butan-1-one CAS Name: (2R)-2-(2-methoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxyphenoxy)butan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methoxyphenoxy)butan-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3OC

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=CC=C3OC

InChI

InChI=1S/C22H28N2O3/c1-3-19(27-21-12-8-7-11-20(21)26-2)22(25)24-15-13-23(14-16-24)17-18-9-5-4-6-10-18/h4-12,19H,3,13-17H2,1-2H3/p+1/t19-/m1/s1