2-hydroxyethyl-methyl-[(2R)-3-(4-methylphenoxy)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[(2R)-3-(4-methylphenoxy)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]azanium Openeye Name: 2-hydroxyethyl-methyl-[(1R)-1-[(4-methylphenoxy)methyl]-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[(2R)-3-(4-methylphenoxy)-1-oxo-1-(1-piperazinyl)propan-2-yl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[(2R)-3-(4-methylphenoxy)-1-oxo-1-piperazin-1-ylpropan-2-yl]azanium Traditional Name: 2-hydroxyethyl-[(1R)-2-keto-1-[(4-methylphenoxy)methyl]-2-piperazino-ethyl]-methyl-ammonium Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C(=O)N2CCNCC2)[NH+](C)CCO

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](C(=O)N2CCNCC2)[NH+](C)CCO

InChI

InChI=1S/C17H27N3O3/c1-14-3-5-15(6-4-14)23-13-16(19(2)11-12-21)17(22)20-9-7-18-8-10-20/h3-6,16,18,21H,7-13H2,1-2H3/p+1/t16-/m1/s1