bis(azanyl)methylidene-[[4-(1-oxidanyl-1-oxidanylidene-hex-5-yn-2-yl)phenyl]methyl]azanium

Systemtic Name: bis(azanyl)methylidene-[[4-(1-oxidanyl-1-oxidanylidene-hex-5-yn-2-yl)phenyl]methyl]azanium Openeye Name: [4-(1-carboxypent-4-ynyl)phenyl]methyl-(diaminomethylene)ammonium CAS Name: diaminomethylidene-[[4-(1-hydroxy-1-oxohex-5-yn-2-yl)phenyl]methyl]ammonium IUPAC Name: diaminomethylidene-[[4-(1-hydroxy-1-oxohex-5-yn-2-yl)phenyl]methyl]azanium Traditional Name: [4-(1-carboxypent-4-ynyl)benzyl]-(diaminomethylene)ammonium Formula: C14H18N3O2+ MolecularWeight: 260.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCC(C1=CC=C(C=C1)C[NH+]=C(N)N)C(=O)O

Isomeric SMILES

C#CCCC(C1=CC=C(C=C1)C[NH+]=C(N)N)C(=O)O

InChI

InChI=1S/C14H17N3O2/c1-2-3-4-12(13(18)19)11-7-5-10(6-8-11)9-17-14(15)16/h1,5-8,12H,3-4,9H2,(H,18,19)(H4,15,16,17)/p+1