N-[[3-(diethylaminomethyl)-4-methoxy-phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine

Systemtic Name: N-[[3-(diethylaminomethyl)-4-methoxy-phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Openeye Name: N-[[3-(diethylaminomethyl)-4-methoxy-phenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine CAS Name: N-[[3-(diethylaminomethyl)-4-methoxyphenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine IUPAC Name: N-[[3-(diethylaminomethyl)-4-methoxyphenyl]methyl]-2-methyl-1H-pyrazol-2-ium-3-amine Traditional Name: diethyl-[2-methoxy-5-[[(2-methyl-1H-pyrazol-2-ium-3-yl)amino]methyl]benzyl]amine Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)CNC2=[N+](NC=C2)C)OC

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)CNC2=[N+](NC=C2)C)OC

InChI

InChI=1S/C17H26N4O/c1-5-21(6-2)13-15-11-14(7-8-16(15)22-4)12-18-17-9-10-19-20(17)3/h7-11H,5-6,12-13H2,1-4H3,(H,18,19)/p+1