4-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3,5-dimethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H32N3O5+ MolecularWeight: 442.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OCC(=O)N)OC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H31N3O5/c1-30-20-12-19(13-21(31-2)23(20)32-16-22(25)28)24(29)26-14-17-6-8-18(9-7-17)15-27-10-4-3-5-11-27/h6-9,12-13H,3-5,10-11,14-16H2,1-2H3,(H2,25,28)(H,26,29)/p+1