2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]-N-benzylacetamide Traditional Name: 2-[4-[1-(1,3-benzoxazol-2-yl)isonipecotoyl]piperazin-1-ium-1-yl]-N-benzyl-acetamide Formula: C26H32N5O3+ MolecularWeight: 462.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H31N5O3/c32-24(27-18-20-6-2-1-3-7-20)19-29-14-16-30(17-15-29)25(33)21-10-12-31(13-11-21)26-28-22-8-4-5-9-23(22)34-26/h1-9,21H,10-19H2,(H,27,32)/p+1