1-[4-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]-2-methyl-propan-1-one Formula: C19H31N2O3+ MolecularWeight: 335.46104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)C(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCN(CC2)C(=O)C(C)C)O

InChI

InChI=1S/C19H30N2O3/c1-4-16-5-7-18(8-6-16)24-14-17(22)13-20-9-11-21(12-10-20)19(23)15(2)3/h5-8,15,17,22H,4,9-14H2,1-3H3/p+1/t17-/m1/s1