[(2S)-1-oxidanyl-5-pyrrolidin-1-ium-1-yl-pent-3-yn-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-oxidanyl-5-pyrrolidin-1-ium-1-yl-pent-3-yn-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-(hydroxymethyl)-4-pyrrolidin-1-ium-1-yl-but-2-ynyl]ammonium CAS Name: [(2S)-1-hydroxy-5-(1-pyrrolidin-1-iumyl)pent-3-yn-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-hydroxy-5-pyrrolidin-1-ium-1-ylpent-3-yn-2-yl]azanium Traditional Name: benzyl-[(1S)-1-methylol-4-pyrrolidin-1-ium-1-yl-but-2-ynyl]ammonium Formula: C16H24N2O+2 MolecularWeight: 260.37456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC#CC(CO)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](C1)CC#C[C@@H](CO)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O/c19-14-16(9-6-12-18-10-4-5-11-18)17-13-15-7-2-1-3-8-15/h1-3,7-8,16-17,19H,4-5,10-14H2/p+2/t16-/m0/s1