6-[bis(azanyl)methylideneamino]hexyl benzoate; methane

Systemtic Name: 6-[bis(azanyl)methylideneamino]hexyl benzoate; methane Openeye Name: 6-guanidinohexyl benzoate; methane CAS Name: benzoic acid 6-(diaminomethylideneamino)hexyl ester; methane IUPAC Name: 6-(diaminomethylideneamino)hexyl benzoate; methane Traditional Name: benzoic acid 6-guanidinohexyl ester; methane Formula: C15H25N3O2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC=C(C=C1)C(=O)OCCCCCCN=C(N)N

Isomeric SMILES

C.C1=CC=C(C=C1)C(=O)OCCCCCCN=C(N)N

InChI

InChI=1S/C14H21N3O2.CH4/c15-14(16)17-10-6-1-2-7-11-19-13(18)12-8-4-3-5-9-12;/h3-5,8-9H,1-2,6-7,10-11H2,(H4,15,16,17);1H4