[(2S)-pentan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-pentan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: [(2S)-pentan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-methylbutyl]-(2-propargyloxybenzyl)ammonium Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC=CC=C1OCC#C

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC=CC=C1OCC#C

InChI

InChI=1S/C15H21NO/c1-4-8-13(3)16-12-14-9-6-7-10-15(14)17-11-5-2/h2,6-7,9-10,13,16H,4,8,11-12H2,1,3H3/p+1/t13-/m0/s1