diethyl-[(4S)-4-[3-[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]propanoylamino]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[3-[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]propanoylamino]pentyl]azanium Openeye Name: [(4S)-4-[3-[benzyl(pyrazine-2-carbonyl)amino]propanoylamino]pentyl]-diethyl-ammonium CAS Name: diethyl-[(4S)-4-[[1-oxo-3-[[oxo(2-pyrazinyl)methyl]-(phenylmethyl)amino]propyl]amino]pentyl]ammonium IUPAC Name: [(4S)-4-[3-[benzyl(pyrazine-2-carbonyl)amino]propanoylamino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[3-[benzyl(pyrazinoyl)amino]propanoylamino]pentyl]-diethyl-ammonium Formula: C24H36N5O2+ MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C24H35N5O2/c1-4-28(5-2)16-9-10-20(3)27-23(30)13-17-29(19-21-11-7-6-8-12-21)24(31)22-18-25-14-15-26-22/h6-8,11-12,14-15,18,20H,4-5,9-10,13,16-17,19H2,1-3H3,(H,27,30)/p+1/t20-/m0/s1