[5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]phosphonic acid; 3-(trimethylazaniumyl)propan-1-olate

Systemtic Name: [5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]phosphonic acid; 3-(trimethylazaniumyl)propan-1-olate Openeye Name: [5-(1-naphthylmethyl)-2,3-dihydropyrrol-1-yl]phosphonic acid; 3-(trimethylammonio)propan-1-olate CAS Name: [5-(1-naphthalenylmethyl)-2,3-dihydropyrrol-1-yl]phosphonic acid; 3-(trimethylammonio)-1-propanolate IUPAC Name: [5-(naphthalen-1-ylmethyl)-2,3-dihydropyrrol-1-yl]phosphonic acid; 3-(trimethylazaniumyl)propan-1-olate Traditional Name: [2-(1-naphthylmethyl)-2-pyrrolin-1-yl]phosphonic acid; 3-(trimethylammonio)propan-1-olate Formula: C21H31N2O4P MolecularWeight: 406.455601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC[O-].C1CN(C(=C1)CC2=CC=CC3=CC=CC=C32)P(=O)(O)O

Isomeric SMILES

C[N+](C)(C)CCC[O-].C1CN(C(=C1)CC2=CC=CC3=CC=CC=C32)P(=O)(O)O

InChI

InChI=1S/C15H16NO3P.C6H15NO/c17-20(18,19)16-10-4-8-14(16)11-13-7-3-6-12-5-1-2-9-15(12)13;1-7(2,3)5-4-6-8/h1-3,5-9H,4,10-11H2,(H2,17,18,19);4-6H2,1-3H3