[(2S)-2-ethylhexyl]-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-(2-propargyloxybenzyl)ammonium Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO/c1-4-7-10-16(6-3)14-19-15-17-11-8-9-12-18(17)20-13-5-2/h2,8-9,11-12,16,19H,4,6-7,10,13-15H2,1,3H3/p+1/t16-/m0/s1