1,3-benzodioxol-5-ylmethyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl]-methyl-piperonyl-ammonium Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-14-3-6-16(7-4-14)17-10-21(28-23-17)22-20(25)12-24(2)11-15-5-8-18-19(9-15)27-13-26-18/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1