[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-(2-methoxyethyl)ammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)azanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-methoxyethyl)ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

COCC[NH2+]CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3/c1-25-10-9-22-14-17-15-24(18-5-3-2-4-6-18)23-21(17)16-7-8-19-20(13-16)27-12-11-26-19/h2-8,13,15,22H,9-12,14H2,1H3/p+1