[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl-ethyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl-ethyl-(2-pyrazol-1-ylethyl)ammonium Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)CC2=C(OC(=N2)C3=CC4=C(C=C3Cl)OCO4)C

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)CC2=C(OC(=N2)C3=CC4=C(C=C3Cl)OCO4)C

InChI

InChI=1S/C19H21ClN4O3/c1-3-23(7-8-24-6-4-5-21-24)11-16-13(2)27-19(22-16)14-9-17-18(10-15(14)20)26-12-25-17/h4-6,9-10H,3,7-8,11-12H2,1-2H3/p+1