[4-(3-methylbutoxy)phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [4-(3-methylbutoxy)phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(4-isopentyloxyphenyl)methyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[[4-(3-methylbutoxy)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[[4-(3-methylbutoxy)phenyl]methyl]azanium Traditional Name: (4-isoamoxybenzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-4-15(12-18)17-11-14-5-7-16(8-6-14)19-10-9-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3/p+1/t15-/m1/s1