[3-(ethoxymethyl)-4-methoxy-phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [3-(ethoxymethyl)-4-methoxy-phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [3-(ethoxymethyl)-4-methoxy-phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [3-(ethoxymethyl)-4-methoxyphenyl]methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [3-(ethoxymethyl)-4-methoxyphenyl]methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [3-(ethoxymethyl)-4-methoxy-benzyl]-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH2+]CC2=CN(N=C2)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH2+]CC2=CN(N=C2)C)OC

InChI

InChI=1S/C16H23N3O2/c1-4-21-12-15-7-13(5-6-16(15)20-3)8-17-9-14-10-18-19(2)11-14/h5-7,10-11,17H,4,8-9,12H2,1-3H3/p+1