[5-[butyl(ethyl)amino]-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-[butyl(ethyl)amino]-3-methyl-1-phenyl-pyrazol-4-yl]methylazanium Openeye Name: [5-[butyl(ethyl)amino]-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium CAS Name: [5-[butyl(ethyl)amino]-3-methyl-1-phenyl-4-pyrazolyl]methylammonium IUPAC Name: [5-[butyl(ethyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methylazanium Traditional Name: [5-[butyl(ethyl)amino]-3-methyl-1-phenyl-pyrazol-4-yl]methylammonium Formula: C17H27N4+ MolecularWeight: 287.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=C(C(=NN1C2=CC=CC=C2)C)C[NH3+]

Isomeric SMILES

CCCCN(CC)C1=C(C(=NN1C2=CC=CC=C2)C)C[NH3+]

InChI

InChI=1S/C17H26N4/c1-4-6-12-20(5-2)17-16(13-18)14(3)19-21(17)15-10-8-7-9-11-15/h7-11H,4-6,12-13,18H2,1-3H3/p+1