N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(4,5-dimethyl-2-furanyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)C

InChI

InChI=1S/C26H27N3O3/c1-17-15-22(31-18(17)2)16-29-13-11-19(12-14-29)25(30)27-21-9-7-20(8-10-21)26-28-23-5-3-4-6-24(23)32-26/h3-10,15,19H,11-14,16H2,1-2H3,(H,27,30)/p+1