[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

InChI=1S/C23H27N3O4/c1-26(17-7-3-2-4-8-17)14-22(27)25-19-10-6-5-9-18(19)23(28)24-16-11-12-20-21(13-16)30-15-29-20/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H,24,28)(H,25,27)/p+1