[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-azanium

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-cyclohexyl-azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-cyclohexyl-ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-cyclohexylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-cyclohexylazanium Traditional Name: cyclohexyl-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C[NH2+]C4CCCCC4

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C[NH2+]C4CCCCC4

InChI

InChI=1S/C22H28N2O3S/c1-16-9-10-28-21(16)14-24(22(25)12-23-18-5-3-2-4-6-18)13-17-7-8-19-20(11-17)27-15-26-19/h7-11,18,23H,2-6,12-15H2,1H3/p+1