[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(2-methoxyethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)ammonium Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

COCC[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c1-24-10-9-21-12-16-13-23(17-5-3-2-4-6-17)22-20(16)15-7-8-18-19(11-15)26-14-25-18/h2-8,11,13,21H,9-10,12,14H2,1H3/p+1