[(2S)-2-ethylhexyl]-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-4-6-7-14(5-2)12-18-13-15-8-10-16(11-9-15)17(19)20-3/h8-11,14,18H,4-7,12-13H2,1-3H3/p+1/t14-/m0/s1