[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C26H25N4O3+ MolecularWeight: 441.5017

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N4O3/c1-29(17-25(31)27-21-12-13-23-24(14-21)33-18-32-23)15-20-16-30(22-10-6-3-7-11-22)28-26(20)19-8-4-2-5-9-19/h2-14,16H,15,17-18H2,1H3,(H,27,31)/p+1