[(2S)-butan-2-yl]-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]azanium Openeye Name: [3-(cyclopentoxy)-4-methoxy-phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]azanium Traditional Name: [3-(cyclopentoxy)-4-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=CC(=C(C=C1)OC)OC2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-4-13(2)18-12-14-9-10-16(19-3)17(11-14)20-15-7-5-6-8-15/h9-11,13,15,18H,4-8,12H2,1-3H3/p+1/t13-/m0/s1