2-[[[[ethyl(heptyl)azaniumylidene]-ethylsulfanyl-methyl]-heptyl-carbamoyl]amino]ethanoate

Systemtic Name: 2-[[[[ethyl(heptyl)azaniumylidene]-ethylsulfanyl-methyl]-heptyl-carbamoyl]amino]ethanoate Openeye Name: 2-[[[[ethyl(heptyl)iminio]-ethylsulfanyl-methyl]-heptyl-carbamoyl]amino]acetate CAS Name: 2-[[[[[ethyl(heptyl)iminio]-(ethylthio)methyl]-heptylamino]-oxomethyl]amino]acetate IUPAC Name: 2-[[[[ethyl(heptyl)azaniumylidene]-ethylsulfanylmethyl]-heptylcarbamoyl]amino]acetate Traditional Name: 2-[[[[ethyl(heptyl)iminio]-(ethylthio)methyl]-heptyl-carbamoyl]amino]acetate Formula: C22H43N3O3S MolecularWeight: 429.66012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C(=O)NCC(=O)[O-])C(=[N+](CC)CCCCCCC)SCC

Isomeric SMILES

CCCCCCCN(C(=O)NCC(=O)[O-])C(=[N+](CC)CCCCCCC)SCC

InChI

InChI=1S/C22H43N3O3S/c1-5-9-11-13-15-17-24(7-3)22(29-8-4)25(18-16-14-12-10-6-2)21(28)23-19-20(26)27/h5-19H2,1-4H3,(H-,23,26,27,28)