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

Systemtic Name: [2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=C(OC(=N2)C3=CC4=C(C=C3Cl)OCO4)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=C(OC(=N2)C3=CC4=C(C=C3Cl)OCO4)C

InChI

InChI=1S/C20H20ClN3O3/c1-3-24(10-14-4-6-22-7-5-14)11-17-13(2)27-20(23-17)15-8-18-19(9-16(15)21)26-12-25-18/h4-9H,3,10-12H2,1-2H3/p+1