[(2S)-butan-2-yl]-[(2-cyclopentyloxy-3-methoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(2-cyclopentyloxy-3-methoxy-phenyl)methyl]azanium Openeye Name: [2-(cyclopentoxy)-3-methoxy-phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]azanium Traditional Name: [2-(cyclopentoxy)-3-methoxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=C(C(=CC=C1)OC)OC2CCCC2

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=C(C(=CC=C1)OC)OC2CCCC2

InChI

InChI=1S/C17H27NO2/c1-4-13(2)18-12-14-8-7-11-16(19-3)17(14)20-15-9-5-6-10-15/h7-8,11,13,15,18H,4-6,9-10,12H2,1-3H3/p+1/t13-/m0/s1