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

Systemtic Name: [(2S)-butan-2-yl]-[[4-(3-methylbutoxy)phenyl]methyl]azanium Openeye Name: (4-isopentyloxyphenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[4-(3-methylbutoxy)phenyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[4-(3-methylbutoxy)phenyl]methyl]azanium Traditional Name: (4-isoamoxybenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO/c1-5-14(4)17-12-15-6-8-16(9-7-15)18-11-10-13(2)3/h6-9,13-14,17H,5,10-12H2,1-4H3/p+1/t14-/m0/s1