2-piperidin-1-ium-1-yl-N-[4-[5-(2-piperidin-1-ium-1-ylethanoylamino)-1,3-benzoxazol-2-yl]phenyl]ethanamide

Systemtic Name: 2-piperidin-1-ium-1-yl-N-[4-[5-(2-piperidin-1-ium-1-ylethanoylamino)-1,3-benzoxazol-2-yl]phenyl]ethanamide Openeye Name: 2-piperidin-1-ium-1-yl-N-[4-[5-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide CAS Name: N-[4-[5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1,3-benzoxazol-2-yl]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: 2-piperidin-1-ium-1-yl-N-[4-[5-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide Traditional Name: 2-piperidin-1-ium-1-yl-N-[4-[5-[(2-piperidin-1-ium-1-ylacetyl)amino]-1,3-benzoxazol-2-yl]phenyl]acetamide Formula: C27H35N5O3+2 MolecularWeight: 477.5985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=O)C[NH+]5CCCCC5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=O)C[NH+]5CCCCC5

InChI

InChI=1S/C27H33N5O3/c33-25(18-31-13-3-1-4-14-31)28-21-9-7-20(8-10-21)27-30-23-17-22(11-12-24(23)35-27)29-26(34)19-32-15-5-2-6-16-32/h7-12,17H,1-6,13-16,18-19H2,(H,28,33)(H,29,34)/p+2