N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine

Systemtic Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine Openeye Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenyl-ethanamine CAS Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-phenylethanamine IUPAC Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-phenylethanamine Traditional Name: benzofurazan-4-ylmethyl-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-amine Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)CC3=CC=CC4=NON=C43

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C22H28N4O/c1-25-13-6-9-19(15-25)16-26(14-12-18-7-3-2-4-8-18)17-20-10-5-11-21-22(20)24-27-23-21/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3/p+1/t19-/m0/s1