[(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]-cyclopentyl-azanium

Systemtic Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-oxidanyl-propyl]-cyclopentyl-azanium Openeye Name: cyclopentyl-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylammonium IUPAC Name: [(2S)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium Traditional Name: cyclopentyl-[(2S)-2-hydroxy-3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(C[NH2+]C2CCCC2)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC[C@H](C[NH2+]C2CCCC2)O

InChI

InChI=1S/C18H29NO2/c1-3-14(2)17-10-6-7-11-18(17)21-13-16(20)12-19-15-8-4-5-9-15/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3/p+1/t14-,16-/m0/s1