[(2S)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]carbonylamino]propyl]-dipentyl-azanium

Systemtic Name: [(2S)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]carbonylamino]propyl]-dipentyl-azanium Openeye Name: [(2S)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]propyl]-dipentyl-ammonium CAS Name: [(2S)-2-[[[5-[(4-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]propyl]-dipentylammonium IUPAC Name: [(2S)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]propyl]-dipentylazanium Traditional Name: diamyl-[(2S)-2-[[5-[(4-nitropyrazol-1-yl)methyl]-2-furoyl]amino]propyl]ammonium Formula: C22H36N5O4+ MolecularWeight: 434.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)CC(C)NC(=O)C1=CC=C(O1)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)C1=CC=C(O1)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O4/c1-4-6-8-12-25(13-9-7-5-2)15-18(3)24-22(28)21-11-10-20(31-21)17-26-16-19(14-23-26)27(29)30/h10-11,14,16,18H,4-9,12-13,15,17H2,1-3H3,(H,24,28)/p+1/t18-/m0/s1