[4-[[6-[2-(4-hydroxyphenyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[2-(4-hydroxyphenyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[2-(4-hydroxyphenyl)ethylamino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[2-(4-hydroxyphenyl)ethylamino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[2-(4-hydroxyphenyl)ethylamino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[2-(4-hydroxyphenyl)ethylamino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC=C(C=C2)NC(=O)CCC[NH3+])O

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC=C(C=C2)NC(=O)CCC[NH3+])O

InChI

InChI=1S/C17H22N4O2/c18-10-1-2-17(23)21-14-5-8-16(20-12-14)19-11-9-13-3-6-15(22)7-4-13/h3-8,12,22H,1-2,9-11,18H2,(H,19,20)(H,21,23)/p+1