[(2S)-5-methylhexan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-(2-propargyloxybenzyl)ammonium Formula: C17H26NO+ MolecularWeight: 260.39444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO/c1-5-12-19-17-9-7-6-8-16(17)13-18-15(4)11-10-14(2)3/h1,6-9,14-15,18H,10-13H2,2-4H3/p+1/t15-/m0/s1