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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H25N3O3/c1-17-6-11-21(30-17)16-28-14-12-18(13-15-28)24(29)26-20-9-7-19(8-10-20)25-27-22-4-2-3-5-23(22)31-25/h2-11,18H,12-16H2,1H3,(H,26,29)/p+1