[4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[(2S)-3-benzhydryloxy-2-hydroxypropyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C25H29N2O4+ MolecularWeight: 421.50876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H28N2O4/c28-22(18-26-13-15-27(16-14-26)25(29)23-12-7-17-30-23)19-31-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,22,24,28H,13-16,18-19H2/p+1/t22-/m0/s1