dimethyl-[2-[3-[2-methylpropyl(pyrazin-2-ylcarbonyl)amino]propanoyl-(phenylmethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[2-methylpropyl(pyrazin-2-ylcarbonyl)amino]propanoyl-(phenylmethyl)amino]ethyl]azanium Openeye Name: 2-[benzyl-[3-[isobutyl(pyrazine-2-carbonyl)amino]propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[3-[2-methylpropyl-[oxo(2-pyrazinyl)methyl]amino]-1-oxopropyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[3-[2-methylpropyl(pyrazine-2-carbonyl)amino]propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[3-[isobutyl(pyrazinoyl)amino]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O2/c1-19(2)17-28(23(30)21-16-24-11-12-25-21)13-10-22(29)27(15-14-26(3)4)18-20-8-6-5-7-9-20/h5-9,11-12,16,19H,10,13-15,17-18H2,1-4H3/p+1