[1,3-dimethyl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-yl]methylazanium

Systemtic Name: [1,3-dimethyl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-yl]methylazanium Openeye Name: [1,3-dimethyl-5-[3-(4-pyridyl)propoxy]pyrazol-4-yl]methylammonium CAS Name: [1,3-dimethyl-5-(3-pyridin-4-ylpropoxy)-4-pyrazolyl]methylammonium IUPAC Name: [1,3-dimethyl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-yl]methylazanium Traditional Name: [1,3-dimethyl-5-[3-(4-pyridyl)propoxy]pyrazol-4-yl]methylammonium Formula: C14H21N4O+ MolecularWeight: 261.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])OCCCC2=CC=NC=C2)C

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])OCCCC2=CC=NC=C2)C

InChI

InChI=1S/C14H20N4O/c1-11-13(10-15)14(18(2)17-11)19-9-3-4-12-5-7-16-8-6-12/h5-8H,3-4,9-10,15H2,1-2H3/p+1