2-[3-[(4-fluorophenyl)methyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[(4-fluorophenyl)methyl-(5-methylpyrazin-2-yl)carbonyl-amino]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[(4-fluorophenyl)methyl-(5-methylpyrazine-2-carbonyl)amino]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[(4-fluorophenyl)methyl-[(5-methyl-2-pyrazinyl)-oxomethyl]amino]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[(4-fluorophenyl)methyl-(5-methylpyrazine-2-carbonyl)amino]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[(4-fluorobenzyl)-(5-methylpyrazinoyl)amino]propanoylamino]ethyl-dimethyl-ammonium Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC[NH+](C)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC[NH+](C)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C20H26FN5O2/c1-15-12-24-18(13-23-15)20(28)26(14-16-4-6-17(21)7-5-16)10-8-19(27)22-9-11-25(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,27)/p+1