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

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-azanium Openeye Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]amino]phenyl]methyl-cyclohexyl-methyl-ammonium CAS Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylammonium IUPAC Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]phenyl]methyl-cyclohexyl-methylazanium Traditional Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]amino]benzyl]-cyclohexyl-methyl-ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NCC(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4

InChI

InChI=1S/C23H29N3O3/c1-26(19-8-3-2-4-9-19)15-17-7-5-6-10-20(17)24-14-23(27)25-18-11-12-21-22(13-18)29-16-28-21/h5-7,10-13,19,24H,2-4,8-9,14-16H2,1H3,(H,25,27)/p+1