[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-azanium

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-azanium Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-ammonium CAS Name: [2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-propylammonium IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propylazanium Traditional Name: [2-keto-2-(o-anisidino)ethyl]-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-propyl-ammonium Formula: C22H31N6O3+ MolecularWeight: 427.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC[NH+](CC(=O)NC1=CC=CC=C1OC)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H30N6O3/c1-3-11-26(16-20(29)25-18-7-4-5-8-19(18)31-2)17-21(30)27-12-14-28(15-13-27)22-23-9-6-10-24-22/h4-10H,3,11-17H2,1-2H3,(H,25,29)/p+1