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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-ethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-ethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-ethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-ethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-ethyl-ammonium Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-2-20-11-15-12-22(16-6-4-3-5-7-16)21-19(15)14-8-9-17-18(10-14)24-13-23-17/h3-10,12,20H,2,11,13H2,1H3/p+1