[4-oxidanylidene-4-[[6-(phenethylamino)pyridin-3-yl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[6-(phenethylamino)pyridin-3-yl]amino]butyl]azanium Openeye Name: [4-oxo-4-[[6-(phenethylamino)-3-pyridyl]amino]butyl]ammonium CAS Name: [4-oxo-4-[[6-(phenethylamino)-3-pyridinyl]amino]butyl]ammonium IUPAC Name: [4-oxo-4-[[6-(phenethylamino)pyridin-3-yl]amino]butyl]azanium Traditional Name: [4-keto-4-[[6-(phenethylamino)-3-pyridyl]amino]butyl]ammonium Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=C(C=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=C(C=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H22N4O/c18-11-4-7-17(22)21-15-8-9-16(20-13-15)19-12-10-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12,18H2,(H,19,20)(H,21,22)/p+1