[(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-(2-propargyloxybenzyl)ammonium Formula: C18H26NO+ MolecularWeight: 272.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC=CC=C2OCC#C

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC=CC=C2OCC#C

InChI

InChI=1S/C18H25NO/c1-4-12-20-18-11-6-5-9-16(18)13-19-17-10-7-8-14(2)15(17)3/h1,5-6,9,11,14-15,17,19H,7-8,10,12-13H2,2-3H3/p+1/t14-,15+,17-/m0/s1