3-[[(2S)-2-ethylhexanoyl]-(pyridin-3-ylmethyl)amino]propylazanium

Systemtic Name: 3-[[(2S)-2-ethylhexanoyl]-(pyridin-3-ylmethyl)amino]propylazanium Openeye Name: 3-[[(2S)-2-ethylhexanoyl]-(3-pyridylmethyl)amino]propylammonium CAS Name: 3-[[(2S)-2-ethyl-1-oxohexyl]-(3-pyridinylmethyl)amino]propylammonium IUPAC Name: 3-[[(2S)-2-ethylhexanoyl]-(pyridin-3-ylmethyl)amino]propylazanium Traditional Name: 3-[[(2S)-2-ethylhexanoyl]-(3-pyridylmethyl)amino]propylammonium Formula: C17H30N3O+ MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CCC[NH3+])CC1=CN=CC=C1

Isomeric SMILES

CCCC[C@H](CC)C(=O)N(CCC[NH3+])CC1=CN=CC=C1

InChI

InChI=1S/C17H29N3O/c1-3-5-9-16(4-2)17(21)20(12-7-10-18)14-15-8-6-11-19-13-15/h6,8,11,13,16H,3-5,7,9-10,12,14,18H2,1-2H3/p+1/t16-/m0/s1