3-[[6-(nitrosomethylidene)-1H-pyridin-3-yl]carbonylamino]propyl-(phenylmethyl)azanium

Systemtic Name: 3-[[6-(nitrosomethylidene)-1H-pyridin-3-yl]carbonylamino]propyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[6-(nitrosomethylene)-1H-pyridine-3-carbonyl]amino]propyl]ammonium CAS Name: 3-[[[6-(nitrosomethylidene)-1H-pyridin-3-yl]-oxomethyl]amino]propyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[6-(nitrosomethylidene)-1H-pyridine-3-carbonyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[6-(nitrosomethylene)-1H-pyridine-3-carbonyl]amino]propyl]ammonium Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCCNC(=O)C2=CNC(=CN=O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCCNC(=O)C2=CNC(=CN=O)C=C2

InChI

InChI=1S/C17H20N4O2/c22-17(15-7-8-16(13-21-23)20-12-15)19-10-4-9-18-11-14-5-2-1-3-6-14/h1-3,5-8,12-13,18,20H,4,9-11H2,(H,19,22)/p+1