(2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-phenyl-butan-1-one

Systemtic Name: (2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-phenyl-butan-1-one Openeye Name: (2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-phenyl-butan-1-one CAS Name: (2R)-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-2-phenyl-1-butanone IUPAC Name: (2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-phenylbutan-1-one Traditional Name: (2R)-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-2-phenyl-butan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CCO

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C17H26N2O2/c1-14(2)16(15-6-4-3-5-7-15)17(21)19-10-8-18(9-11-19)12-13-20/h3-7,14,16,20H,8-13H2,1-2H3/p+1/t16-/m1/s1