3-[[3-azanyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propyl-dibutyl-azanium

Systemtic Name: 3-[[3-azanyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]propyl-dibutyl-azanium Openeye Name: 3-[(3-amino-1-benzyl-pyrazole-4-carbonyl)amino]propyl-dibutyl-ammonium CAS Name: 3-[[[3-amino-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]propyl-dibutylammonium IUPAC Name: 3-[(3-amino-1-benzylpyrazole-4-carbonyl)amino]propyl-dibutylazanium Traditional Name: 3-[(3-amino-1-benzyl-pyrazole-4-carbonyl)amino]propyl-dibutyl-ammonium Formula: C22H36N5O+ MolecularWeight: 386.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCNC(=O)C1=CN(N=C1N)CC2=CC=CC=C2

Isomeric SMILES

CCCC[NH+](CCCC)CCCNC(=O)C1=CN(N=C1N)CC2=CC=CC=C2

InChI

InChI=1S/C22H35N5O/c1-3-5-14-26(15-6-4-2)16-10-13-24-22(28)20-18-27(25-21(20)23)17-19-11-8-7-9-12-19/h7-9,11-12,18H,3-6,10,13-17H2,1-2H3,(H2,23,25)(H,24,28)/p+1