4-azanyl-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]heptanoate

Systemtic Name: 4-azanyl-7-[bis(azanyl)methylideneamino]-3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]heptanoate Openeye Name: 4-amino-7-guanidino-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-heptanoate CAS Name: 4-amino-7-(diaminomethylideneamino)-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxoheptanoate IUPAC Name: 4-amino-7-(diaminomethylideneamino)-2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxoheptanoate Traditional Name: 4-amino-7-guanidino-2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-enanthate Formula: C13H27N5O4 MolecularWeight: 317.38458

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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)