N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-ethyl-2-imidazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H28N5O2+ MolecularWeight: 430.52212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N5O2/c1-2-30-16-13-26-23(30)17-29-14-11-18(12-15-29)24(31)27-20-9-7-19(8-10-20)25-28-21-5-3-4-6-22(21)32-25/h3-10,13,16,18H,2,11-12,14-15,17H2,1H3,(H,27,31)/p+1