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

Systemtic Name: [(2S)-1-oxidanyl-5-piperidin-1-ium-1-yl-pent-3-yn-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-1-(hydroxymethyl)-4-piperidin-1-ium-1-yl-but-2-ynyl]ammonium CAS Name: [(2S)-1-hydroxy-5-(1-piperidin-1-iumyl)pent-3-yn-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-hydroxy-5-piperidin-1-ium-1-ylpent-3-yn-2-yl]azanium Traditional Name: benzyl-[(1S)-1-methylol-4-piperidin-1-ium-1-yl-but-2-ynyl]ammonium Formula: C17H26N2O+2 MolecularWeight: 274.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC#CC(CO)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](CC1)CC#C[C@@H](CO)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O/c20-15-17(18-14-16-8-3-1-4-9-16)10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,17-18,20H,2,5-6,11-15H2/p+2/t17-/m0/s1