[5-azanyl-8-[bis(azanyl)methylideneamino]-3-carboxy-2-oxidanyl-4-oxidanylidene-octyl]-trimethyl-azanium

Systemtic Name: [5-azanyl-8-[bis(azanyl)methylideneamino]-3-carboxy-2-oxidanyl-4-oxidanylidene-octyl]-trimethyl-azanium Openeye Name: (5-amino-3-carboxy-8-guanidino-2-hydroxy-4-oxo-octyl)-trimethyl-ammonium CAS Name: [5-amino-3-carboxy-8-(diaminomethylideneamino)-2-hydroxy-4-oxooctyl]-trimethylammonium IUPAC Name: [5-amino-3-carboxy-8-(diaminomethylideneamino)-2-hydroxy-4-oxooctyl]-trimethylazanium Traditional Name: (5-amino-3-carboxy-8-guanidino-2-hydroxy-4-keto-octyl)-trimethyl-ammonium Formula: C13H28N5O4+ MolecularWeight: 318.39252

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)C(CCCN=C(N)N)N)C(=O)O)O

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)C(CCCN=C(N)N)N)C(=O)O)O

InChI

InChI=1S/C13H27N5O4/c1-18(2,3)7-9(19)10(12(21)22)11(20)8(14)5-4-6-17-13(15)16/h8-10,19H,4-7,14H2,1-3H3,(H4-,15,16,17,21,22)/p+1