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

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: cyclohexyl-[2-[[2-keto-2-(piperonylamino)ethyl]amino]benzyl]-methyl-ammonium Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC(=O)NCC2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

InChI=1S/C24H31N3O3/c1-27(20-8-3-2-4-9-20)16-19-7-5-6-10-21(19)25-15-24(28)26-14-18-11-12-22-23(13-18)30-17-29-22/h5-7,10-13,20,25H,2-4,8-9,14-17H2,1H3,(H,26,28)/p+1