2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-keto-2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl]-methyl-ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N4O3/c1-16-4-7-19(8-5-16)27-22(12-17(2)25-27)24-23(28)15-26(3)14-18-6-9-20-21(13-18)30-11-10-29-20/h4-9,12-13H,10-11,14-15H2,1-3H3,(H,24,28)/p+1