[5-[[(1-butyl-5-methyl-pyrazol-3-yl)amino]methyl]-2-methoxy-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-[[(1-butyl-5-methyl-pyrazol-3-yl)amino]methyl]-2-methoxy-phenyl]methyl-diethyl-azanium Openeye Name: [5-[[(1-butyl-5-methyl-pyrazol-3-yl)amino]methyl]-2-methoxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-[[(1-butyl-5-methyl-3-pyrazolyl)amino]methyl]-2-methoxyphenyl]methyl-diethylammonium IUPAC Name: [5-[[(1-butyl-5-methylpyrazol-3-yl)amino]methyl]-2-methoxyphenyl]methyl-diethylazanium Traditional Name: [5-[[(1-butyl-5-methyl-pyrazol-3-yl)amino]methyl]-2-methoxy-benzyl]-diethyl-ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+](CC)CC)C

Isomeric SMILES

CCCCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+](CC)CC)C

InChI

InChI=1S/C21H34N4O/c1-6-9-12-25-17(4)13-21(23-25)22-15-18-10-11-20(26-5)19(14-18)16-24(7-2)8-3/h10-11,13-14H,6-9,12,15-16H2,1-5H3,(H,22,23)/p+1