1-[(2S)-1-(3-ethylphenoxy)propan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2S)-1-(3-ethylphenoxy)propan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-2-(3-ethylphenoxy)-1-methyl-ethyl]piperazin-4-ium CAS Name: 1-[(2S)-1-(3-ethylphenoxy)propan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-1-(3-ethylphenoxy)propan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-2-(3-ethylphenoxy)-1-methyl-ethyl]piperazin-4-ium Formula: C15H25N2O+ MolecularWeight: 249.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(C)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H24N2O/c1-3-14-5-4-6-15(11-14)18-12-13(2)17-9-7-16-8-10-17/h4-6,11,13,16H,3,7-10,12H2,1-2H3/p+1/t13-/m0/s1