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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCCCC2=C(C(=NN2)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCCCC2=C(C(=NN2)N)C#N)OC

InChI

InChI=1S/C18H25N5O2/c1-24-16-8-7-13(10-17(16)25-2)12-21-9-5-3-4-6-15-14(11-19)18(20)23-22-15/h7-8,10,21H,3-6,9,12H2,1-2H3,(H3,20,22,23)/p+1