N-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-(4-fluoroanilino)-3-oxo-propyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-(4-fluoroanilino)-3-oxopropyl]-5-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-fluoroanilino)-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-(4-fluoroanilino)-3-keto-propyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C21H27FN5O3+ MolecularWeight: 416.469183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NC2=CC=C(C=C2)F)CC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NC2=CC=C(C=C2)F)CC[NH+]3CCOCC3

InChI

InChI=1S/C21H26FN5O3/c1-16-14-24-19(15-23-16)21(29)27(9-8-26-10-12-30-13-11-26)7-6-20(28)25-18-4-2-17(22)3-5-18/h2-5,14-15H,6-13H2,1H3,(H,25,28)/p+1