(3-cyanophenyl)methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: (3-cyanophenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3-cyanophenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3-cyanophenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: (3-cyanobenzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H24N2/c1-3-5-7-14(4-2)12-18-13-16-9-6-8-15(10-16)11-17/h6,8-10,14,18H,3-5,7,12-13H2,1-2H3/p+1/t14-/m0/s1