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

Systemtic Name: dimethyl-[2-[(phenylmethyl)-[3-[propyl(pyrazin-2-ylcarbonyl)amino]propanoyl]amino]ethyl]azanium Openeye Name: 2-[benzyl-[3-[propyl(pyrazine-2-carbonyl)amino]propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[1-oxo-3-[[oxo(2-pyrazinyl)methyl]-propylamino]propyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[3-[propyl(pyrazine-2-carbonyl)amino]propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[3-[propyl(pyrazinoyl)amino]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2/c1-4-13-26(22(29)20-17-23-11-12-24-20)14-10-21(28)27(16-15-25(2)3)18-19-8-6-5-7-9-19/h5-9,11-12,17H,4,10,13-16,18H2,1-3H3/p+1