5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-[(3,4-dichlorophenyl)methyl]azanium

Systemtic Name: 5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-[(3,4-dichlorophenyl)methyl]azanium Openeye Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[(3,4-dichlorophenyl)methyl]ammonium CAS Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[(3,4-dichlorophenyl)methyl]ammonium IUPAC Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[(3,4-dichlorophenyl)methyl]azanium Traditional Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-(3,4-dichlorobenzyl)ammonium Formula: C16H20Cl2N5+ MolecularWeight: 353.2695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH2+]CCCCCC2=C(C(=NN2)N)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C[NH2+]CCCCCC2=C(C(=NN2)N)C#N)Cl)Cl

InChI

InChI=1S/C16H19Cl2N5/c17-13-6-5-11(8-14(13)18)10-21-7-3-1-2-4-15-12(9-19)16(20)23-22-15/h5-6,8,21H,1-4,7,10H2,(H3,20,22,23)/p+1