5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-[(2,3-dimethoxyphenyl)methyl]azanium

Systemtic Name: 5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyl-[(2,3-dimethoxyphenyl)methyl]azanium Openeye Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[(2,3-dimethoxyphenyl)methyl]ammonium CAS Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[(2,3-dimethoxyphenyl)methyl]ammonium IUPAC Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-[(2,3-dimethoxyphenyl)methyl]azanium Traditional Name: 5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyl-o-veratryl-ammonium Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH2+]CCCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH2+]CCCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C18H25N5O2/c1-24-16-9-6-7-13(17(16)25-2)12-21-10-5-3-4-8-15-14(11-19)18(20)23-22-15/h6-7,9,21H,3-5,8,10,12H2,1-2H3,(H3,20,22,23)/p+1