[[carboxymethylcarbamoyl(heptyl)amino]-ethylsulfanyl-methylidene]-ethyl-heptyl-azanium

Systemtic Name: [[carboxymethylcarbamoyl(heptyl)amino]-ethylsulfanyl-methylidene]-ethyl-heptyl-azanium Openeye Name: [[carboxymethylcarbamoyl(heptyl)amino]-ethylsulfanyl-methylene]-ethyl-heptyl-ammonium CAS Name: [[[(carboxymethylamino)-oxomethyl]-heptylamino]-(ethylthio)methylidene]-ethyl-heptylammonium IUPAC Name: [[carboxymethylcarbamoyl(heptyl)amino]-ethylsulfanylmethylidene]-ethyl-heptylazanium Traditional Name: [[carboxymethylcarbamoyl(heptyl)amino]-(ethylthio)methylene]-ethyl-heptyl-ammonium Formula: C22H44N3O3S+ MolecularWeight: 430.66806

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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)/p+1