[(2S)-heptan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: [(1S)-1-methylhexyl]-(3,4,5-trimethoxybenzyl)ammonium Formula: C17H30NO3+ MolecularWeight: 296.425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C17H29NO3/c1-6-7-8-9-13(2)18-12-14-10-15(19-3)17(21-5)16(11-14)20-4/h10-11,13,18H,6-9,12H2,1-5H3/p+1/t13-/m0/s1