8-methoxy-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]quinazolin-4-one

Systemtic Name: 8-methoxy-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]quinazolin-4-one Openeye Name: 8-methoxy-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]quinazolin-4-one CAS Name: 8-methoxy-3-[[(3R)-1-phenethyl-3-piperidin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 8-methoxy-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]quinazolin-4-one Traditional Name: 8-methoxy-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]quinazolin-4-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=CN(C2=O)CC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1N=CN(C2=O)C[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-28-21-11-5-10-20-22(21)24-17-26(23(20)27)16-19-9-6-13-25(15-19)14-12-18-7-3-2-4-8-18/h2-5,7-8,10-11,17,19H,6,9,12-16H2,1H3/p+1/t19-/m0/s1