[(2S)-6-methylheptan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-(2-propargyloxybenzyl)ammonium Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO/c1-5-13-20-18-12-7-6-11-17(18)14-19-16(4)10-8-9-15(2)3/h1,6-7,11-12,15-16,19H,8-10,13-14H2,2-4H3/p+1/t16-/m0/s1