2-acetamidoethyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C19H33N3O3+2 MolecularWeight: 351.48362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC=CC=C1OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC=CC=C1OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C19H31N3O3/c1-16(23)21-10-9-20-13-17-7-3-4-8-19(17)25-15-18(24)14-22-11-5-2-6-12-22/h3-4,7-8,18,20,24H,2,5-6,9-15H2,1H3,(H,21,23)/p+2/t18-/m0/s1