5-[bis(azanyl)methylideneamino]pentyl benzoate; methane

Systemtic Name: 5-[bis(azanyl)methylideneamino]pentyl benzoate; methane Openeye Name: 5-guanidinopentyl benzoate; methane CAS Name: benzoic acid 5-(diaminomethylideneamino)pentyl ester; methane IUPAC Name: 5-(diaminomethylideneamino)pentyl benzoate; methane Traditional Name: benzoic acid 5-guanidinopentyl ester; methane Formula: C14H23N3O2 MolecularWeight: 265.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2.CH4/c14-13(15)16-9-5-2-6-10-18-12(17)11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10H2,(H4,14,15,16);1H4